data_1mx8_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 1mx8 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 122.775 1.274 . . . . 10.0 109.71 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . 48.7 m-85 -68.09 -33.41 74.48 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.215 -1.811 . . . . 10.0 115.095 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -55.04 87.46 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 124.632 2.158 . . . . 10.0 114.263 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -168.62 -154.58 9.0 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 113.035 -1.893 . . . . 10.0 110.075 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.92 130.09 46.32 Favored 'General case' 0 CA--C 1.498 -1.051 0 O-C-N 125.802 1.53 . . . . 10.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CD2' HD13 ' A' ' 115' ' ' LEU . 8.8 m95 -136.35 124.85 23.52 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 113.243 -1.799 . . . . 10.0 114.942 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -111.46 144.87 39.98 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.443 0.64 . . . . 10.0 110.075 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 ttp -78.4 137.69 38.13 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-O 122.626 1.203 . . . . 10.0 110.727 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -56.09 3.22 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 112.736 -2.029 . . . . 10.0 113.65 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.6 -172.21 4.16 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 112.48 -2.146 . . . . 10.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -155.75 133.62 11.27 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.815 -2.448 . . . . 10.0 108.766 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.25 -17.28 14.92 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.984 -2.825 . . . . 10.0 112.555 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -144.4 32.34 1.2 Allowed 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' HB2' ' CB ' ' A' ' 13' ' ' ASN . 19.1 t80 -74.97 -23.53 58.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 113.726 -1.579 . . . . 10.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.66 -44.09 24.59 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.13 -1.396 . . . . 10.0 113.497 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -70.78 -29.67 65.93 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 112.655 -2.066 . . . . 10.0 112.71 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -77.71 -23.47 49.46 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 111.873 -2.421 . . . . 10.0 111.476 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.66 -28.23 51.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 125.706 2.67 . . . . 10.0 109.027 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 -26.03 61.36 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.633 -2.985 . . . . 10.0 112.821 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 -30.29 66.46 Favored 'General case' 0 CA--C 1.499 -0.983 0 O-C-N 125.272 1.608 . . . . 10.0 112.711 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -101.26 5.96 42.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.913 -1.949 . . . . 10.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 50.26 63.26 2.27 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 111.651 -2.522 . . . . 10.0 114.627 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.86 141.14 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.552 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.38 160.73 0.23 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 112.9 -1.955 . . . . 10.0 111.408 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.34 -24.44 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 124.323 2.011 . . . . 10.0 112.803 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.04 -46.31 24.19 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.1 1.905 . . . . 10.0 111.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -30.18 71.36 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 113.096 -1.866 . . . . 10.0 114.88 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 12.9 ttm105 -72.16 -32.31 66.74 Favored 'General case' 0 CA--C 1.497 -1.078 0 O-C-N 127.767 3.167 . . . . 10.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.22 62.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.788 -2.46 . . . . 10.0 114.538 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -74.26 -43.74 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 O-C-N 127.977 3.298 . . . . 10.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.72 -20.55 65.02 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 126.392 2.307 . . . . 10.0 114.564 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -70.17 -37.98 75.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.436 -1.256 . . . . 10.0 113.682 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.55 -15.82 47.79 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 127.159 2.787 . . . . 10.0 108.747 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -91.18 150.43 21.37 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 125.626 2.631 . . . . 10.0 109.776 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.19 76.15 1.01 Allowed Pre-proline 0 C--O 1.216 -0.66 0 CA-C-N 110.889 -2.869 . . . . 10.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -44.74 143.64 4.05 Favored 'Trans proline' 0 CA--C 1.497 -1.359 0 O-C-N 126.85 3.026 . . . . 10.0 113.285 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.27 117.02 32.97 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 127.022 2.701 . . . . 10.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -89.87 132.31 35.35 Favored 'General case' 0 C--O 1.209 -1.067 0 O-C-N 125.847 1.967 . . . . 10.0 113.359 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 99.8 5.89 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 110.672 -2.967 . . . . 10.0 108.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 3.2 mp -84.6 144.79 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-N 113.269 -1.787 . . . . 10.0 110.581 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.06 90.88 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 112.02 -2.355 . . . . 10.0 110.038 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -76.49 137.79 39.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.347 1.459 . . . . 10.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -160.6 72.41 0.46 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 124.092 1.901 . . . . 10.0 111.501 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.59 7.51 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 114.18 -1.373 . . . . 10.0 112.58 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.89 -5.64 59.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 127.285 2.403 . . . . 10.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 112.41 -2.177 . . . . 10.0 110.031 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.72 123.58 23.88 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 127.36 2.913 . . . . 10.0 111.565 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 mt -108.48 132.49 56.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 127.543 3.027 . . . . 10.0 109.967 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mt -111.36 104.37 16.96 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 111.906 -2.406 . . . . 10.0 109.556 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -72.24 159.86 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 124.238 1.97 . . . . 10.0 112.438 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.8 m -156.72 104.56 2.16 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 113.208 -1.814 . . . . 10.0 107.414 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.24 97.84 5.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 127.589 3.056 . . . . 10.0 111.698 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 5.28 24.84 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 110.81 -2.905 . . . . 10.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.79 18.63 10.86 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.383 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.14 -57.3 2.1 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.775 -1.557 . . . . 10.0 108.657 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -158.58 124.24 4.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 124.493 2.092 . . . . 10.0 109.069 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -79.23 125.44 29.47 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 112.995 -1.911 . . . . 10.0 112.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -135.01 87.95 2.38 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.477 -2.147 . . . . 10.0 111.443 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.9 mp -93.84 145.45 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 CA-C-N 112.727 -2.033 . . . . 10.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.3 mtt -130.17 158.68 39.04 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 127.144 2.777 . . . . 10.0 109.556 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.14 94.75 4.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.967 1.365 . . . . 10.0 109.046 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -86.62 102.0 13.77 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 111.712 -2.494 . . . . 10.0 111.724 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -89.16 96.05 10.56 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 126.285 2.241 . . . . 10.0 109.071 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -53.92 116.13 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 O-C-N 125.394 1.684 . . . . 10.0 114.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.55 61.84 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 127.225 2.828 . . . . 10.0 112.983 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.97 155.04 21.33 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.549 1.381 . . . . 10.0 114.575 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -90.04 149.79 22.37 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 124.47 1.106 . . . . 10.0 113.973 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 37.7 p90 -161.77 143.52 11.33 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 126.402 2.314 . . . . 10.0 111.455 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.48 162.21 26.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.548 3.03 . . . . 10.0 109.121 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -154.14 95.1 1.8 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 123.565 1.65 . . . . 10.0 114.352 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -79.8 109.75 14.51 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 111.296 -2.684 . . . . 10.0 108.804 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt -86.92 24.19 1.56 Allowed 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 125.55 1.781 . . . . 10.0 115.303 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -70.76 114.56 8.96 Favored 'General case' 0 CA--C 1.5 -0.946 0 O-C-N 121.062 -1.024 . . . . 10.0 108.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.35 -20.56 4.42 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 124.141 1.967 . . . . 10.0 109.381 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 77' ' ' ILE . 4.0 mp -100.45 -69.66 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 109.608 -3.296 . . . . 10.0 107.484 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.14 22.18 0.96 Allowed 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 127.383 2.927 . . . . 10.0 113.547 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 52.2 78.75 0.12 Allowed 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 113.153 -1.84 . . . . 10.0 113.672 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.09 166.57 24.31 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 112.583 -2.099 . . . . 10.0 109.46 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -148.24 133.81 18.75 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 126.452 2.345 . . . . 10.0 108.2 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 19.4 p -163.14 -176.03 4.63 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 124.22 1.962 . . . . 10.0 113.234 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.9 mtt -115.03 127.31 55.57 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 111.472 -2.604 . . . . 10.0 108.46 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.4 m -126.76 145.72 50.5 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.926 -1.488 . . . . 10.0 113.975 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.89 159.12 42.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.576 -1.193 . . . . 10.0 108.679 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.1 t -137.32 135.56 47.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 CA-C-O 124.786 2.231 . . . . 10.0 110.011 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -125.9 167.59 15.04 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 112.044 -2.344 . . . . 10.0 115.007 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -124.47 75.08 1.37 Allowed 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.542 3.026 . . . . 10.0 111.933 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -49.58 5.49 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.18 2.8 . . . . 10.0 110.452 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.08 -117.99 0.42 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-O 123.891 1.828 . . . . 10.0 110.97 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -74.75 -13.66 60.62 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 113.569 -1.315 . . . . 10.0 110.347 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -110.2 170.6 7.97 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 126.469 2.356 . . . . 10.0 111.575 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 tp -114.92 143.2 45.53 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.834 3.209 . . . . 10.0 109.017 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -140.94 124.91 17.17 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.75 -1.18 . . . . 10.0 112.058 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.32 133.16 56.29 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 126.405 3.003 . . . . 10.0 107.987 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.36 137.08 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 111.56 -2.563 . . . . 10.0 111.032 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HB3' ' HG2' ' A' ' 104' ' ' ARG . 22.2 tt0 -113.1 126.82 55.88 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 113.338 -1.756 . . . . 10.0 108.889 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -94.43 49.46 1.28 Allowed 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 125.79 1.931 . . . . 10.0 110.766 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.35 -146.14 18.9 Favored Glycine 0 C--O 1.21 -1.399 0 CA-C-O 124.497 2.165 . . . . 10.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -173.29 2.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 112.047 -2.076 . . . . 10.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm 69.44 -171.27 0.18 Allowed 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 126.318 2.261 . . . . 10.0 108.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -138.75 89.38 2.36 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.323 -2.217 . . . . 10.0 113.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 163.66 -36.19 0.31 Allowed Glycine 0 C--N 1.353 1.518 0 CA-C-N 109.254 -3.612 . . . . 10.0 112.159 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.464 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.42 93.96 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 127.263 3.411 . . . . 10.0 112.549 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.85 95.55 0.1 OUTLIER Glycine 0 C--N 1.348 1.197 0 CA-C-N 111.159 -2.746 . . . . 10.0 108.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.523 ' CH2' ' HE3' ' A' ' 119' ' ' MET . 2.3 m0 -65.66 162.51 18.29 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 125.649 2.643 . . . . 10.0 115.409 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -149.54 145.66 26.96 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 110.272 -3.149 . . . . 10.0 108.084 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.57 162.97 33.24 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.272 2.233 . . . . 10.0 113.694 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -169.23 108.19 0.43 Allowed 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.792 -2.458 . . . . 10.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.8 mt -81.65 143.03 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.645 3.091 . . . . 10.0 109.202 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -135.73 44.38 2.51 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 111.71 -2.495 . . . . 10.0 114.465 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -119.75 4.96 Favored Glycine 0 C--O 1.213 -1.218 0 CA-C-N 114.465 -1.243 . . . . 10.0 114.477 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.1 36.42 2.24 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 112.905 -1.648 . . . . 10.0 113.555 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.49 107.24 2.39 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 127.177 2.798 . . . . 10.0 109.389 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -78.0 93.61 4.49 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 123.624 1.678 . . . . 10.0 114.1 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -92.95 153.68 18.62 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 110.327 -3.124 . . . . 10.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -166.09 170.63 13.26 Favored 'General case' 0 CA--C 1.495 -1.147 0 CA-C-O 124.183 1.944 . . . . 10.0 111.047 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.94 95.67 4.01 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 111.887 -2.415 . . . . 10.0 112.905 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.523 ' HE3' ' CH2' ' A' ' 106' ' ' TRP . 24.3 mtt -77.28 141.12 40.12 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.3 -2.227 . . . . 10.0 109.747 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -132.93 139.25 47.24 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.887 3.242 . . . . 10.0 110.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -161.97 116.23 1.89 Allowed 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.408 -2.178 . . . . 10.0 114.144 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 60.2 22.27 11.62 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.38 0.86 59.4 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 112.536 -2.12 . . . . 10.0 113.657 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.95 139.44 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 O-C-N 128.512 3.125 . . . . 10.0 108.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -106.82 125.67 51.3 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 127.672 3.107 . . . . 10.0 111.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 111.13 18.06 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 124.502 2.096 . . . . 10.0 113.686 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.22 115.12 29.13 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.888 -1.506 . . . . 10.0 108.508 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.405 ' HB2' ' HE2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -123.43 116.13 22.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.108 -2.769 . . . . 10.0 107.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.71 118.47 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.167 0 N-CA-C 115.78 1.77 . . . . 10.0 115.78 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -104.31 139.76 38.84 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.929 2.018 . . . . 10.0 108.954 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 132' ' ' LYS . 2.4 tptt -112.55 140.93 46.89 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.044 -1.435 . . . . 10.0 113.318 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -65.95 140.75 58.34 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.005 -2.361 . . . . 10.0 108.176 179.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.28 -25.33 3.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 128.64 3.712 . . . . 10.0 113.698 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.1 p80 . . . . . 0 C--O 1.26 1.619 0 O-C-N 125.444 1.715 . . . . 10.0 111.691 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.218 -0.554 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -82.41 -6.87 59.56 Favored 'General case' 0 CA--C 1.511 -0.558 0 O-C-N 127.222 2.826 . . . . 10.0 113.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -62.62 134.35 56.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.8 -2.909 . . . . 10.0 109.106 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.67 -163.96 23.18 Favored Glycine 0 C--O 1.212 -1.222 0 CA-C-N 111.611 -2.541 . . . . 10.0 112.395 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 41' ' ' GLU . 3.7 m-85 -112.3 141.72 45.66 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 127.058 2.269 . . . . 10.0 108.408 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.485 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 1.3 m95 -146.31 118.52 8.34 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.48 -1.236 . . . . 10.0 113.431 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -116.51 151.14 36.73 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-N 112.487 -2.142 . . . . 10.0 108.82 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.6 ptm -87.69 148.46 24.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 110.516 -3.038 . . . . 10.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.65 -67.14 0.96 Allowed 'General case' 0 CA--C 1.497 -1.062 0 O-C-N 128.84 3.837 . . . . 10.0 112.622 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 t -136.11 162.75 32.06 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.29 179.48 4.1 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 115.553 -0.749 . . . . 10.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -139.43 -48.56 0.48 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 112.849 -1.978 . . . . 10.0 114.057 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -139.92 38.81 1.98 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 125.809 2.719 . . . . 10.0 108.282 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CD2' ' C ' ' A' ' 16' ' ' PHE . 51.5 t80 -65.38 -34.42 78.27 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 113.064 -1.88 . . . . 10.0 115.43 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -73.21 -48.4 35.42 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 111.361 -2.654 . . . . 10.0 113.421 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.19 -27.41 68.67 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 126.17 2.169 . . . . 10.0 113.848 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.426 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 57.0 t80 -66.03 -33.5 75.94 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.729 -3.396 . . . . 10.0 113.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 8.0 mt -78.45 -31.3 47.91 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 114.517 -1.22 . . . . 10.0 113.931 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -24.72 65.88 Favored 'General case' 0 C--O 1.21 -0.983 0 O-C-N 126.861 2.6 . . . . 10.0 113.257 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 -25.79 58.24 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 127.025 3.298 . . . . 10.0 113.127 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.1 7.54 46.41 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 110.446 -3.07 . . . . 10.0 108.494 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 51.95 51.42 16.52 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 113.322 -1.763 . . . . 10.0 114.849 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 20' ' ' LEU . 3.8 p -69.99 149.25 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 113.25 -1.795 . . . . 10.0 107.793 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.1 161.09 19.68 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 125.413 2.53 . . . . 10.0 110.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.45 -30.1 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 CA-C-N 111.863 -2.426 . . . . 10.0 113.361 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.13 68.2 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-O 122.699 1.238 . . . . 10.0 112.203 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -22.01 65.01 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 113.549 -1.66 . . . . 10.0 112.174 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.36 -27.44 46.92 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.504 -1.226 . . . . 10.0 109.604 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -39.55 53.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 112.205 -2.271 . . . . 10.0 110.766 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.33 -44.4 72.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 113.077 -1.874 . . . . 10.0 112.977 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.12 48.94 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 127.411 2.944 . . . . 10.0 114.797 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.98 -36.75 59.11 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 112.54 -2.118 . . . . 10.0 111.34 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.87 -4.05 55.27 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 126.855 2.597 . . . . 10.0 112.557 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tp -95.09 133.22 39.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 109.603 -3.453 . . . . 10.0 112.707 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -141.54 74.89 23.01 Favored Pre-proline 0 C--O 1.215 -0.749 0 CA-C-N 110.102 -3.226 . . . . 10.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -68.73 168.74 19.26 Favored 'Trans proline' 0 CA--C 1.499 -1.237 0 CA-C-O 124.296 1.707 . . . . 10.0 111.586 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.11 142.51 47.53 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.144 -1.844 . . . . 10.0 108.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 129.39 48.18 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 124.338 2.018 . . . . 10.0 113.781 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 1.4 tt0 -115.42 108.21 16.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 110.687 -2.96 . . . . 10.0 109.824 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.4 mm -91.1 148.04 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.296 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.44 72.19 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 O-C-N 128.219 3.449 . . . . 10.0 110.972 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.96 129.26 35.91 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 125.355 1.659 . . . . 10.0 112.84 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 -50.82 2.93 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 126.805 2.566 . . . . 10.0 110.786 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.76 91.01 0.08 OUTLIER Glycine 0 C--O 1.209 -1.443 0 O-C-N 127.086 2.741 . . . . 10.0 112.764 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.28 31.29 2.42 Favored 'General case' 0 C--O 1.209 -1.065 0 C-N-CA 125.056 1.343 . . . . 10.0 109.666 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 121.75 8.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.661 3.726 . . . . 10.0 108.142 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.8 mtm -131.91 88.86 2.61 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 126.523 2.39 . . . . 10.0 112.451 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.62 104.92 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-O 124.145 1.926 . . . . 10.0 113.586 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -89.92 109.36 20.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.507 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -100.84 123.42 45.0 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 111.165 -2.743 . . . . 10.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.1 m -107.31 112.68 25.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 123.65 1.691 . . . . 10.0 108.531 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.84 143.2 38.35 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.238 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -28.55 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 112.847 -1.979 . . . . 10.0 114.849 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m 94.18 -15.49 0.11 Allowed 'General case' 0 C--O 1.209 -1.031 0 O-C-N 127.374 2.921 . . . . 10.0 111.583 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -84.92 -30.21 24.53 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 123.328 1.537 . . . . 10.0 108.965 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -177.75 132.25 0.16 Allowed 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 109.583 -3.462 . . . . 10.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.88 106.99 18.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.919 -2.4 . . . . 10.0 113.132 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -114.0 109.18 18.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 113.606 -1.633 . . . . 10.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.9 144.2 35.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 CA-C-N 114.318 -1.31 . . . . 10.0 113.082 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.43 147.05 12.17 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 128.112 3.382 . . . . 10.0 111.267 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.43 89.09 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 127.63 3.081 . . . . 10.0 111.312 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.21 124.13 22.62 Favored 'General case' 0 C--O 1.209 -1.065 0 O-C-N 128.325 3.515 . . . . 10.0 112.384 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.3 134.51 46.57 Favored 'General case' 0 CA--C 1.495 -1.169 0 O-C-N 126.168 2.168 . . . . 10.0 110.287 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.25 125.87 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 O-C-N 126.887 2.617 . . . . 10.0 113.22 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.58 -18.6 56.14 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 114.462 -1.244 . . . . 10.0 113.225 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -110.57 150.04 29.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 114.199 1.185 . . . . 10.0 114.199 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -88.1 144.0 26.75 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 124.469 1.106 . . . . 10.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -168.33 155.22 7.62 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 127.781 3.175 . . . . 10.0 114.196 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.73 168.34 0.2 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 110.745 -2.934 . . . . 10.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.79 67.16 1.4 Allowed 'General case' 0 C--O 1.219 -0.516 0 O-C-N 128.03 3.331 . . . . 10.0 110.659 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.78 99.05 0.21 Allowed 'General case' 0 C--N 1.35 0.604 0 CA-C-N 110.44 -3.073 . . . . 10.0 112.72 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 tp -120.25 78.66 1.37 Allowed 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 125.96 2.79 . . . . 10.0 111.574 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.16 32.36 6.16 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 111.422 -2.626 . . . . 10.0 111.061 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.49 23.55 2.02 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 109.773 -3.376 . . . . 10.0 109.361 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.3 mp -154.22 -72.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 113.446 -1.377 . . . . 10.0 113.006 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -117.3 3.35 12.58 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 113.057 -1.883 . . . . 10.0 114.726 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 50.37 67.49 0.91 Allowed 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 126.993 3.282 . . . . 10.0 112.948 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -134.93 149.72 50.29 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 109.807 -3.361 . . . . 10.0 111.301 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 107.97 8.18 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 127.141 2.775 . . . . 10.0 109.54 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.3 m -141.28 177.45 8.09 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.643 -1.286 . . . . 10.0 114.391 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.1 mtp -103.95 141.97 35.23 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 125.369 1.668 . . . . 10.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -142.65 145.95 33.97 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 125.546 2.593 . . . . 10.0 112.694 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.28 160.05 36.07 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 110.565 -3.016 . . . . 10.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.55 114.09 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 112.26 -2.245 . . . . 10.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.25 154.07 17.72 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.799 3.187 . . . . 10.0 108.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.51 116.56 19.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.203 -1.362 . . . . 10.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -85.49 -59.58 2.28 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 127.135 2.772 . . . . 10.0 114.238 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 155.94 118.49 0.6 Allowed Glycine 0 C--N 1.35 1.345 0 CA-C-N 114.364 -1.289 . . . . 10.0 111.19 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.7 23.62 9.68 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 125.462 1.331 . . . . 10.0 111.297 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -156.45 169.11 25.37 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 127.546 3.029 . . . . 10.0 108.579 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 tt -151.46 136.41 17.33 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 126.991 2.682 . . . . 10.0 114.052 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.404 ' CG ' ' CG2' ' A' ' 107' ' ' THR . 6.7 mp0 -129.76 157.49 42.04 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 124.454 2.073 . . . . 10.0 111.642 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.4 m -121.25 108.22 13.48 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 110.829 -2.896 . . . . 10.0 111.79 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.96 123.91 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 O-C-N 125.748 1.905 . . . . 10.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.0 148.25 43.19 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 124.844 1.34 . . . . 10.0 108.858 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -88.65 -89.55 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 127.444 2.965 . . . . 10.0 113.242 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.14 -153.27 5.99 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-O 123.801 1.779 . . . . 10.0 109.785 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -155.68 66.4 0.61 Allowed 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.219 -1.99 . . . . 10.0 113.915 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HB3' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -149.86 163.62 37.56 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 124.813 2.244 . . . . 10.0 109.044 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.07 101.69 0.9 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 111.161 -2.745 . . . . 10.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.63 -110.04 2.49 Favored Glycine 0 C--O 1.226 -0.37 0 CA-C-N 111.034 -2.803 . . . . 10.0 113.127 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.467 ' CD ' ' HB3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 54.63 91.49 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.77 0 O-C-N 129.092 3.466 . . . . 10.0 111.997 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.01 123.42 0.67 Allowed Glycine 0 C--O 1.21 -1.378 0 CA-C-N 109.753 -3.385 . . . . 10.0 109.936 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.41 ' CD1' ' N ' ' A' ' 106' ' ' TRP . 0.1 OUTLIER -97.17 169.66 9.65 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 125.259 2.457 . . . . 10.0 109.931 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.404 ' CG2' ' CG ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -151.52 150.23 30.12 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 110.583 -3.008 . . . . 10.0 111.819 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -134.41 150.42 50.87 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 125.853 1.971 . . . . 10.0 109.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.414 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 7.2 t90 -169.13 79.24 0.12 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 111.526 -2.579 . . . . 10.0 109.145 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.7 mt -52.64 130.93 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-N 110.203 -3.181 . . . . 10.0 111.759 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -128.61 78.91 1.88 Allowed 'General case' 0 CA--C 1.513 -0.472 0 O-C-N 126.663 2.477 . . . . 10.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.18 -130.17 10.14 Favored Glycine 0 C--O 1.216 -1.025 0 CA-C-N 114.327 -1.306 . . . . 10.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 29.21 1.95 Allowed 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -143.88 151.44 39.85 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 114.611 -1.177 . . . . 10.0 111.278 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.33 101.65 11.93 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 123.387 1.565 . . . . 10.0 112.69 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -91.56 138.83 31.26 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 114.28 -1.327 . . . . 10.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 pp -157.42 143.4 17.61 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 126.117 2.135 . . . . 10.0 111.52 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.06 92.86 3.28 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 123.997 1.856 . . . . 10.0 112.268 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.7 mtm -80.41 169.18 18.06 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 112.617 -2.083 . . . . 10.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -147.76 142.99 27.22 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 113.489 -1.687 . . . . 10.0 113.186 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.52 111.11 0.9 Allowed 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 114.1 1.148 . . . . 10.0 114.1 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 70.19 21.49 5.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.641 1.21 . . . . 10.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.01 0.37 71.49 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.086 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 50.3 t -91.93 123.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.615 -1.292 . . . . 10.0 114.02 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.81 131.28 37.28 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 128.358 3.536 . . . . 10.0 112.376 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 2.5 t -131.84 114.23 14.45 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 111.874 -2.421 . . . . 10.0 111.121 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -116.56 132.18 56.75 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 112.005 -2.361 . . . . 10.0 112.558 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -118.89 124.02 46.08 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 111.245 -2.707 . . . . 10.0 112.744 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.7 t -93.51 110.14 22.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 112.976 -1.92 . . . . 10.0 108.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -97.55 169.89 9.4 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 112.555 -2.111 . . . . 10.0 110.31 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 134.8 20.64 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 110.014 -3.266 . . . . 10.0 108.869 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.454 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 9.5 tttt -97.77 133.61 42.05 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 110.879 -2.873 . . . . 10.0 108.658 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.0 t -100.22 -46.13 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 112.166 -2.288 . . . . 10.0 109.815 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.26 1.652 0 CA-C-N 110.673 -2.967 . . . . 10.0 111.067 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -97.59 -40.44 8.62 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 126.145 2.153 . . . . 10.0 110.224 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.92 117.7 5.78 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 110.953 -2.839 . . . . 10.0 111.932 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.07 -145.16 10.43 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 123.807 1.782 . . . . 10.0 109.884 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -137.81 124.11 20.57 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 121.672 -0.899 . . . . 10.0 110.205 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 1.6 m95 -129.38 120.5 25.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 124.789 2.233 . . . . 10.0 112.774 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.7 -179.73 3.74 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 111.895 -2.411 . . . . 10.0 108.4 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 175.97 5.31 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.681 1.705 . . . . 10.0 113.853 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -136.17 -56.53 0.76 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 110.177 -3.192 . . . . 10.0 109.715 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.6 179.28 8.52 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 113.494 -1.684 . . . . 10.0 114.236 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.93 169.66 10.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 111.182 -2.736 . . . . 10.0 108.515 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.64 -58.03 0.48 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 125.083 1.489 . . . . 10.0 113.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -136.22 40.98 2.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 127.839 3.212 . . . . 10.0 108.73 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -70.18 -31.49 68.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 111.268 -2.696 . . . . 10.0 112.612 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.85 -46.2 46.44 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.4 -1.273 . . . . 10.0 112.366 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.44 -27.58 65.38 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.163 -0.926 . . . . 10.0 112.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -73.25 -28.08 61.94 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 126.602 2.438 . . . . 10.0 110.621 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 mt -73.67 -44.47 56.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.475 -1.239 . . . . 10.0 110.786 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -65.41 -20.93 66.59 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.354 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.06 62.69 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 123.771 1.748 . . . . 10.0 112.165 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.58 -15.16 27.26 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 110.554 -3.021 . . . . 10.0 110.07 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 76.57 61.78 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 126.154 2.159 . . . . 10.0 114.635 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.7 155.52 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 114.517 -1.22 . . . . 10.0 110.357 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.35 167.89 0.18 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 126.746 2.529 . . . . 10.0 112.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -77.82 -27.36 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 110.857 -2.883 . . . . 10.0 113.314 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.05 -47.53 24.36 Favored 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 129.111 4.007 . . . . 10.0 113.414 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -28.5 69.83 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 125.147 2.403 . . . . 10.0 113.976 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -27.19 52.72 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 110.549 -3.023 . . . . 10.0 111.344 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -79.89 -31.41 40.27 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 109.733 -3.394 . . . . 10.0 114.39 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.528 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 43.9 mt -78.85 -43.26 24.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 112.309 -2.223 . . . . 10.0 113.088 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -27.82 69.56 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.587 -1.642 . . . . 10.0 112.843 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.79 -32.38 73.63 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 125.188 1.555 . . . . 10.0 113.275 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.3 mt -78.59 -49.62 12.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.945 1.831 . . . . 10.0 112.609 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' CZ ' ' A' ' 57' ' ' PHE . 2.6 mm? -62.5 150.23 40.77 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 109.484 -3.507 . . . . 10.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -143.97 82.37 11.07 Favored Pre-proline 0 C--O 1.211 -0.931 0 O-C-N 126.829 2.581 . . . . 10.0 108.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.97 -179.11 0.21 Allowed 'Trans proline' 0 CA--C 1.494 -1.499 1 O-C-N 129.084 4.202 . . . . 10.0 111.642 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -145.68 155.99 43.35 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 112.451 -2.159 . . . . 10.0 109.345 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -121.07 132.93 55.18 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -116.49 122.02 43.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 127.035 2.71 . . . . 10.0 107.664 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 8' ' ' TRP . 4.7 mp -121.6 133.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 O-C-N 126.446 2.341 . . . . 10.0 113.759 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.71 81.03 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 127.351 2.907 . . . . 10.0 113.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -71.71 131.35 43.01 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-N 111.74 -2.482 . . . . 10.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.53 21.26 10.21 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 124.571 2.129 . . . . 10.0 114.146 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 108.25 0.59 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 112.342 -2.208 . . . . 10.0 110.75 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 59.7 21.92 10.68 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 126.203 1.767 . . . . 10.0 110.696 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 48' ' ' HIS . 14.1 t-160 -158.62 112.8 2.47 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.293 -2.23 . . . . 10.0 109.348 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttm -128.88 138.03 51.79 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.125 -2.761 . . . . 10.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.3 mt -118.42 109.45 27.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 126.331 2.269 . . . . 10.0 108.452 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.1 mt -99.84 109.06 23.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.333 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -101.26 110.2 22.18 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 109.88 -3.327 . . . . 10.0 112.949 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 102.94 14.81 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 112.413 -2.176 . . . . 10.0 107.952 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.28 119.67 25.91 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 112.963 -1.926 . . . . 10.0 114.459 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.09 166.16 26.16 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.055 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.7 p -81.75 -17.02 49.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 123.214 1.483 . . . . 10.0 112.095 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.528 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 2.3 m-85 -85.47 -47.41 9.96 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.965 -1.471 . . . . 10.0 113.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -170.17 144.98 2.71 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 127.305 2.878 . . . . 10.0 114.295 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -84.63 124.52 31.55 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.676 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -120.07 97.3 5.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 125.54 2.59 . . . . 10.0 111.822 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.6 126.12 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE2' ' CG ' ' A' ' 72' ' ' GLU . 32.9 mtp -130.06 124.75 33.56 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 124.831 1.332 . . . . 10.0 110.064 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -90.53 57.22 3.56 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 114.583 -1.19 . . . . 10.0 112.149 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -47.88 141.17 5.96 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.796 1.284 . . . . 10.0 114.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.21 113.02 13.93 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 111.746 -2.479 . . . . 10.0 107.678 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -84.12 125.09 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.074 0 CA-C-O 124.023 1.868 . . . . 10.0 114.203 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.99 -26.45 19.16 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 110.941 -2.845 . . . . 10.0 111.334 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 169.53 8.53 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 127.514 2.538 . . . . 10.0 112.604 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -113.92 139.43 49.21 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 112.366 -2.197 . . . . 10.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 8.1 p90 -160.88 145.27 13.8 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.638 -1.619 . . . . 10.0 110.726 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.61 161.92 5.58 Favored 'General case' 0 N--CA 1.462 0.145 0 O-C-N 126.673 2.483 . . . . 10.0 110.165 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' CG ' ' HE2' ' A' ' 62' ' ' MET . 4.0 tt0 -139.41 133.46 31.06 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 110.831 -2.895 . . . . 10.0 109.153 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.7 119.13 38.3 Favored 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 127.301 2.875 . . . . 10.0 109.596 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.35 24.78 8.37 Favored 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 125.905 2.003 . . . . 10.0 110.683 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.1 p -75.9 135.26 40.13 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 126.899 3.238 . . . . 10.0 110.411 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.26 -12.49 55.15 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.64 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -112.77 -85.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 111.374 -2.413 . . . . 10.0 108.622 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.95 11.09 3.94 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.3 t0 40.94 89.09 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 125.796 1.935 . . . . 10.0 114.224 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.68 46.44 0.71 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 123.336 1.541 . . . . 10.0 110.146 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -39.56 120.32 1.07 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 109.556 -3.475 . . . . 10.0 113.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.4 m -148.46 -175.4 4.9 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 118.382 -1.327 . . . . 10.0 114.441 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.21 143.64 26.45 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 125.209 1.568 . . . . 10.0 110.072 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 133.92 24.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 123.923 1.82 . . . . 10.0 113.948 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.5 148.03 45.65 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-N 111.669 -2.514 . . . . 10.0 109.717 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 87' ' ' SER . 77.0 t -128.86 143.33 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 119.457 -0.897 . . . . 10.0 109.568 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.405 ' N ' HG11 ' A' ' 86' ' ' VAL . 22.7 t -140.99 -166.92 2.26 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 126.475 2.359 . . . . 10.0 109.05 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -137.8 160.24 39.8 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 125.823 1.952 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.66 57.43 1.11 Allowed 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 123.686 1.708 . . . . 10.0 112.13 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.96 -96.34 2.0 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-N 113.4 -1.727 . . . . 10.0 114.747 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -93.57 -18.33 22.35 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 127.364 2.45 . . . . 10.0 114.766 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 156.33 37.3 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.24 88.49 2.78 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 128.07 3.356 . . . . 10.0 108.639 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -93.17 151.96 19.52 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 125.913 2.008 . . . . 10.0 107.948 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 16.7 m -117.32 157.57 25.89 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 126.656 2.472 . . . . 10.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.2 133.83 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 111.969 -2.378 . . . . 10.0 111.804 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -97.52 168.79 10.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.043 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -143.24 58.35 1.4 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 117.863 -1.535 . . . . 10.0 108.905 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.63 72.61 0.33 Allowed Glycine 0 C--N 1.339 0.733 0 CA-C-N 112.418 -2.174 . . . . 10.0 114.6 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 63.04 -159.56 0.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 O-C-N 127.677 2.634 . . . . 10.0 114.39 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HB3' ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER 68.37 -175.44 0.2 Allowed 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.701 1.239 . . . . 10.0 109.021 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -164.01 101.15 0.87 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 124.918 2.294 . . . . 10.0 108.661 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.61 -36.38 1.17 Allowed Glycine 0 N--CA 1.465 0.576 0 CA-C-N 110.088 -3.233 . . . . 10.0 113.19 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.421 ' HD3' ' HB3' ' A' ' 101' ' ' LYS . 21.8 ptt-85 -45.18 148.64 0.58 Allowed 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 127.737 2.669 . . . . 10.0 113.026 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.13 87.81 0.48 Allowed Glycine 0 C--N 1.351 1.383 0 CA-C-N 110.05 -3.25 . . . . 10.0 109.49 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.95 134.46 43.14 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 126.169 1.746 . . . . 10.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 147.63 43.9 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 127.38 2.925 . . . . 10.0 109.994 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.13 162.69 18.2 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 110.405 -3.088 . . . . 10.0 109.277 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -140.06 -62.02 0.51 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 112.276 -2.238 . . . . 10.0 114.085 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 111' ' ' GLU . 3.8 mt 70.26 142.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 128.153 3.408 . . . . 10.0 112.419 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.427 ' N ' HG21 ' A' ' 110' ' ' ILE . 64.8 mt-10 -126.27 -175.17 3.3 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 110.373 -3.103 . . . . 10.0 110.54 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.89 -46.42 60.58 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 113.495 -1.684 . . . . 10.0 111.229 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.17 69.66 0.78 Allowed 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.538 -0.831 . . . . 10.0 111.742 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 164.6 130.49 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.934 0 O-C-N 127.421 2.951 . . . . 10.0 109.386 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.528 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -90.93 113.8 26.11 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 111.932 -2.395 . . . . 10.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -107.89 102.45 11.64 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 113.006 -1.907 . . . . 10.0 110.763 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.02 149.49 45.99 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.121 2.763 . . . . 10.0 108.891 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -128.72 97.98 4.85 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.384 -1.735 . . . . 10.0 113.078 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 71.3 mtp -86.99 127.79 35.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 127.354 2.909 . . . . 10.0 113.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -125.43 155.62 40.16 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.339 2.274 . . . . 10.0 111.47 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -170.06 128.65 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 128.021 3.325 . . . . 10.0 112.482 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 64.07 17.14 10.45 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.4 1.259 . . . . 10.0 114.4 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.28 57.46 Favored Glycine 0 C--O 1.216 -0.993 0 O-C-N 125.278 1.611 . . . . 10.0 113.345 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.73 137.87 24.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 111.755 -2.223 . . . . 10.0 108.592 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 m -111.55 133.46 53.81 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 112.598 -2.092 . . . . 10.0 113.365 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.92 132.03 31.79 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 112.178 -2.283 . . . . 10.0 110.516 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.17 18.5 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 113.487 -1.688 . . . . 10.0 113.14 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -96.53 140.27 31.4 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 125.039 1.336 . . . . 10.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.73 99.53 8.73 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 124.237 1.97 . . . . 10.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -100.24 136.5 40.04 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-N 111.597 -2.547 . . . . 10.0 107.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.425 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 9.2 tptm -103.45 126.88 50.86 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 110.929 -2.851 . . . . 10.0 114.588 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -75.18 151.51 38.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 128.796 3.81 . . . . 10.0 109.373 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 134' ' ' HIS . 24.3 t -115.22 -71.91 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 111.447 -2.615 . . . . 10.0 108.428 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.405 ' N ' HG13 ' A' ' 133' ' ' VAL . 2.4 t-80 . . . . . 0 C--O 1.245 0.823 0 O-C-N 127.057 2.723 . . . . 10.0 112.588 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--O 1.209 -1.029 0 CA-C-O 123.696 1.712 . . . . 10.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -87.14 -21.08 26.18 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 112.033 -2.349 . . . . 10.0 113.842 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -49.36 133.31 19.95 Favored 'General case' 0 CA--C 1.507 -0.686 0 O-C-N 124.636 1.21 . . . . 10.0 111.723 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.34 -158.88 23.61 Favored Glycine 0 C--O 1.208 -1.508 0 CA-C-O 123.307 1.504 . . . . 10.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.56 129.51 55.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.563 -1.819 . . . . 10.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 42' ' ' ILE . 20.8 m95 -123.51 118.6 27.75 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 124.946 1.404 . . . . 10.0 109.042 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HG2' ' CG2' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.79 143.49 44.56 Favored 'General case' 0 C--O 1.21 -1.021 0 O-C-N 126.69 2.493 . . . . 10.0 109.595 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.53 168.77 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 126.883 3.23 . . . . 10.0 115.449 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -142.51 -56.62 0.44 Allowed 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 109.568 -3.469 . . . . 10.0 109.778 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 p -170.7 147.79 2.87 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 126.567 2.417 . . . . 10.0 109.368 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.95 127.65 32.85 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 112.69 -2.05 . . . . 10.0 108.639 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -113.58 146.6 39.45 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 127.389 2.931 . . . . 10.0 112.33 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 51.3 27.62 3.72 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 125.545 2.593 . . . . 10.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -76.22 -30.91 58.14 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 113.079 -1.873 . . . . 10.0 112.479 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -27.24 57.47 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 111.162 -2.744 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HB3' HG13 ' A' ' 124' ' ' VAL . 8.9 tt0 -75.65 -29.59 59.17 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 112.081 -2.327 . . . . 10.0 110.67 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -23.99 60.25 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 111.956 -2.384 . . . . 10.0 110.421 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.0 -39.18 56.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 126.063 2.102 . . . . 10.0 112.973 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' NH1' HH11 ' A' ' 30' ' ' ARG . 1.9 ttp-105 -62.84 -23.41 67.28 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 113.031 -1.895 . . . . 10.0 115.158 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -23.83 60.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 112.92 -1.945 . . . . 10.0 111.824 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.0 mt -106.48 29.91 6.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.298 -1.319 . . . . 10.0 111.668 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 35.62 43.01 0.15 Allowed 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 128.471 3.607 . . . . 10.0 115.308 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -78.43 141.77 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.803 -2.908 . . . . 10.0 108.638 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -45.99 153.05 0.33 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-O 123.136 1.445 . . . . 10.0 111.413 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 p -72.48 -20.19 19.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 CA-C-N 110.271 -3.149 . . . . 10.0 111.729 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.88 -37.22 55.91 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 112.129 -2.305 . . . . 10.0 109.66 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -22.24 64.64 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.282 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.419 HH11 ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.6 -30.57 41.56 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 125.998 2.061 . . . . 10.0 108.64 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -39.97 89.42 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 126.866 2.604 . . . . 10.0 111.73 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CG2' ' CZ ' ' A' ' 57' ' ' PHE . 60.6 mt -79.04 -38.3 20.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 110.346 -3.115 . . . . 10.0 111.907 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.52 -22.87 62.27 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.884 -2.416 . . . . 10.0 114.713 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.62 -22.4 66.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.795 -1.548 . . . . 10.0 113.694 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.78 24.27 7.75 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 126.571 2.419 . . . . 10.0 113.564 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.6 94.41 5.19 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 111.804 -2.453 . . . . 10.0 109.195 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -129.59 82.38 67.47 Favored Pre-proline 0 CA--C 1.504 -0.792 0 CA-C-N 110.933 -2.849 . . . . 10.0 108.241 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -67.76 -171.86 0.36 Allowed 'Trans proline' 0 CA--C 1.494 -1.521 0 O-C-N 127.156 3.187 . . . . 10.0 114.68 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.28 170.51 11.8 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 111.61 -2.541 . . . . 10.0 108.512 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -141.34 145.13 35.04 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 125.256 1.598 . . . . 10.0 114.197 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -138.93 128.91 25.13 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 110.609 -2.996 . . . . 10.0 108.618 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.521 HD13 ' CD1' ' A' ' 8' ' ' TRP . 3.2 mt -121.69 145.02 28.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-N 111.841 -2.436 . . . . 10.0 112.782 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.06 80.94 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 111.876 -2.42 . . . . 10.0 110.008 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.89 119.21 3.71 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 123.668 1.699 . . . . 10.0 114.037 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -152.15 99.9 2.57 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.263 -2.244 . . . . 10.0 108.011 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.08 131.93 1.04 Allowed Glycine 0 C--O 1.211 -1.302 0 O-C-N 126.615 2.447 . . . . 10.0 113.534 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 69.25 34.06 3.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.172 1.175 . . . . 10.0 114.172 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 1.4 m170 158.8 80.06 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 126.353 2.283 . . . . 10.0 112.32 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.71 101.04 12.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.616 -1.629 . . . . 10.0 108.285 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.51 121.68 36.59 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 O-C-N 127.966 3.291 . . . . 10.0 110.046 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.49 108.45 25.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 111.92 -2.4 . . . . 10.0 108.883 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.97 151.48 23.71 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 110.159 -3.201 . . . . 10.0 109.555 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.7 m -148.82 96.31 2.55 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 128.866 3.854 . . . . 10.0 109.25 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.58 82.09 2.41 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 124.576 2.131 . . . . 10.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -100.61 -4.06 29.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 111.153 -2.749 . . . . 10.0 113.836 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.06 24.73 6.3 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 112.937 -1.938 . . . . 10.0 113.55 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CZ ' ' CG2' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -127.48 -68.5 0.78 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 126.582 2.426 . . . . 10.0 110.836 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.54 62.09 1.62 Allowed 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 112.761 -2.018 . . . . 10.0 111.677 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 8.8 m120 -31.56 93.73 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 127.931 3.27 . . . . 10.0 113.424 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CE1' ' CE ' ' A' ' 62' ' ' MET . 3.1 t80 -83.18 73.04 10.13 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 128.718 3.761 . . . . 10.0 114.649 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 59' ' ' ASN . 1.3 mp -100.0 117.16 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 109.879 -3.328 . . . . 10.0 112.528 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.406 ' CE ' ' CE1' ' A' ' 60' ' ' TYR . 18.7 mtt -146.86 152.09 38.14 Favored 'General case' 0 CA--C 1.495 -1.146 0 CA-C-O 124.127 1.917 . . . . 10.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -96.9 71.77 2.52 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 110.338 -3.119 . . . . 10.0 113.215 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.2 115.03 2.21 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 112.814 -1.994 . . . . 10.0 112.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 27.0 mt-30 -91.14 143.4 26.72 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 112.84 -1.982 . . . . 10.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 HG12 HG13 ' A' ' 86' ' ' VAL . 57.7 t -102.37 125.95 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-O 123.975 1.845 . . . . 10.0 111.943 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.86 20.51 59.43 Favored Glycine 0 C--O 1.215 -1.091 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.802 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -134.46 141.91 46.92 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-O 125.034 2.349 . . . . 10.0 114.539 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -90.63 102.44 15.19 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 111.98 -2.373 . . . . 10.0 108.034 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 70' ' ' PHE . 21.9 p90 -134.39 150.19 50.87 Favored 'General case' 0 CA--C 1.494 -1.193 0 O-C-N 127.633 3.083 . . . . 10.0 110.327 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.91 133.52 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 113.899 -1.501 . . . . 10.0 113.96 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -105.85 97.43 7.26 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.904 2.003 . . . . 10.0 113.2 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.35 105.98 2.34 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 112.174 -2.284 . . . . 10.0 112.639 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.99 10.62 34.92 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.411 1.694 . . . . 10.0 112.826 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -58.75 99.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 123.123 1.439 . . . . 10.0 111.275 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.09 -29.1 0.9 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 113.18 -1.827 . . . . 10.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.91 -65.59 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 113.567 -1.316 . . . . 10.0 112.95 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.9 1.58 8.69 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.684 1.865 . . . . 10.0 112.964 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 t70 48.43 90.45 0.02 OUTLIER 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.739 1.733 . . . . 10.0 114.339 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.25 123.25 0.13 Allowed 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.04 1.126 . . . . 10.0 114.04 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -84.97 128.99 34.87 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 125.625 1.828 . . . . 10.0 109.463 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 m -144.17 154.26 42.97 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 125.283 2.468 . . . . 10.0 110.531 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtt -81.93 138.04 35.06 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 110.391 -3.095 . . . . 10.0 111.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -127.41 153.96 45.61 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.32 -3.127 . . . . 10.0 113.406 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.28 147.21 26.69 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 111.075 -2.784 . . . . 10.0 109.875 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 66' ' ' VAL . 48.6 t -131.23 117.63 37.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 126.694 2.497 . . . . 10.0 110.402 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -122.67 156.94 33.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 124.948 2.308 . . . . 10.0 113.737 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 140.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 111.438 -2.619 . . . . 10.0 112.333 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.56 112.59 2.46 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 111.985 -2.371 . . . . 10.0 114.29 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.86 56.73 7.33 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.122 -0.944 . . . . 10.0 113.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 46.61 37.01 4.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 125.045 1.085 . . . . 10.0 113.913 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.52 109.78 8.37 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 127.041 2.713 . . . . 10.0 109.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.1 tp -81.89 130.37 35.05 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.034 -2.348 . . . . 10.0 111.404 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -134.09 164.51 27.17 Favored 'General case' 0 C--O 1.209 -1.071 0 CA-C-N 110.277 -3.147 . . . . 10.0 109.507 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 158.44 26.74 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 113.35 -1.75 . . . . 10.0 108.717 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.37 104.97 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 112.496 -2.138 . . . . 10.0 108.972 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -109.47 106.58 16.39 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.409 -1.723 . . . . 10.0 108.132 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -44.95 -55.87 5.1 Favored 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.088 3.368 . . . . 10.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.78 -157.94 0.14 Allowed Glycine 0 C--O 1.209 -1.411 0 O-C-N 126.271 2.232 . . . . 10.0 113.81 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.49 18.54 4.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 113.478 -1.361 . . . . 10.0 112.179 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -125.36 174.24 8.29 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 126.889 2.618 . . . . 10.0 108.585 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -102.71 137.68 40.61 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 124.896 1.372 . . . . 10.0 111.614 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.27 24.27 52.01 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-N 111.538 -2.574 . . . . 10.0 112.503 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -83.77 129.43 34.94 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.983 -1.608 . . . . 10.0 113.137 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.87 142.39 4.71 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 112.98 -1.918 . . . . 10.0 111.344 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -96.31 -175.57 3.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 113.574 -1.313 . . . . 10.0 113.055 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.8 m -160.54 117.55 2.42 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 128.062 3.351 . . . . 10.0 110.413 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 117' ' ' LEU . 6.0 mt-30 -103.53 126.57 50.76 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 126.097 2.123 . . . . 10.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 10.6 t90 -147.84 103.36 3.49 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.751 1.739 . . . . 10.0 108.658 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.3 mt -78.45 151.67 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.835 0 CA-C-N 113.026 -1.897 . . . . 10.0 112.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -137.13 75.69 1.54 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 110.689 -2.96 . . . . 10.0 110.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.67 -106.55 2.54 Favored Glycine 0 C--O 1.213 -1.214 0 CA-C-N 112.431 -2.168 . . . . 10.0 110.588 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.71 71.54 0.76 Allowed 'General case' 0 CA--C 1.497 -1.087 0 CA-C-N 111.111 -2.545 . . . . 10.0 111.3 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.69 140.66 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 111.142 -2.754 . . . . 10.0 109.905 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.491 HD13 ' CE3' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -98.72 108.04 20.64 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 111.044 -2.798 . . . . 10.0 114.197 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 94.52 9.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-N 111.686 -2.507 . . . . 10.0 110.806 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.0 tp -107.04 138.04 43.97 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.695 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -131.28 95.04 3.68 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 127.962 3.289 . . . . 10.0 113.421 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.12 133.1 35.07 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 125.29 1.619 . . . . 10.0 111.155 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -126.62 140.19 52.61 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 115.096 -0.956 . . . . 10.0 110.811 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -155.95 114.56 3.44 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 127.627 3.079 . . . . 10.0 111.415 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.59 19.91 4.91 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 112.868 -1.969 . . . . 10.0 112.268 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.51 -14.72 64.11 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 111.241 -2.709 . . . . 10.0 112.108 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 18' ' ' GLU . 59.5 t -79.68 130.46 36.01 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.955 0 O-C-N 125.579 1.399 . . . . 10.0 108.009 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 55.0 m -97.1 131.65 43.66 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 112.69 -2.05 . . . . 10.0 113.509 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -124.29 118.3 26.48 Favored 'General case' 0 C--N 1.341 0.204 0 O-C-N 125.661 1.851 . . . . 10.0 108.577 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -114.72 114.7 25.97 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 126.098 2.124 . . . . 10.0 112.956 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -106.34 155.29 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 127.819 3.199 . . . . 10.0 108.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.92 124.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 O-C-N 125.062 1.476 . . . . 10.0 113.263 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -116.91 118.48 32.57 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 122.455 1.122 . . . . 10.0 109.728 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 tmtp? -82.38 127.87 33.68 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 123.982 1.849 . . . . 10.0 109.688 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 136.69 36.57 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 9' ' ' LYS . 1.7 t -125.28 1.2 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 114.315 -1.311 . . . . 10.0 113.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 134' ' ' HIS . 10.6 m-70 . . . . . 0 C--O 1.242 0.693 0 CA-C-O 113.516 -3.135 . . . . 10.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.512 -0.505 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' CD2' ' HE2' ' A' ' 49' ' ' MET . 5.2 m-30 -101.86 -16.94 16.41 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.799 3.187 . . . . 10.0 114.043 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -54.36 115.45 2.1 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 126.157 2.161 . . . . 10.0 113.683 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.71 -171.78 31.16 Favored Glycine 0 C--O 1.216 -0.996 0 CA-C-O 125.316 2.62 . . . . 10.0 112.517 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.441 ' C ' ' CG ' ' A' ' 8' ' ' TRP . 8.1 m-85 -103.92 143.1 33.3 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 112.67 -1.765 . . . . 10.0 113.313 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.441 ' CG ' ' C ' ' A' ' 7' ' ' TYR . 10.1 m95 -146.79 146.11 30.14 Favored 'General case' 0 CA--C 1.501 -0.929 1 O-C-N 129.154 4.034 . . . . 10.0 110.169 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -128.8 156.65 43.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 128.045 3.341 . . . . 10.0 110.302 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -94.65 128.96 41.67 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 128.112 3.383 . . . . 10.0 110.76 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.98 -60.74 1.62 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 110.069 -3.241 . . . . 10.0 111.653 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -144.48 150.12 37.08 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 112.609 -2.087 . . . . 10.0 109.584 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -101.53 -178.59 3.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 124.145 1.926 . . . . 10.0 109.979 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -173.7 114.84 0.22 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 111.897 -2.41 . . . . 10.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 57.38 33.49 23.36 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 124.957 2.313 . . . . 10.0 112.564 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -78.45 -25.97 46.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.331 -2.213 . . . . 10.0 108.414 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -75.41 -39.62 58.78 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 128.013 3.321 . . . . 10.0 111.985 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.16 -25.78 60.94 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.635 2.46 . . . . 10.0 112.028 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.75 -29.0 50.82 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.374 -2.194 . . . . 10.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 HG22 ' A' ' 25' ' ' VAL . 9.5 mt -71.56 -30.58 66.04 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.301 -2.227 . . . . 10.0 113.097 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -71.71 -25.26 62.01 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 113.666 -1.606 . . . . 10.0 114.307 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.83 63.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.494 1.14 . . . . 10.0 112.554 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -97.04 7.7 46.09 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 125.296 2.474 . . . . 10.0 107.986 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.0 OUTLIER 51.29 44.52 28.79 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.379 -1.737 . . . . 10.0 114.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 HG22 HD23 ' A' ' 20' ' ' LEU . 4.0 t -71.41 132.41 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.173 0 CA-C-N 113.153 -1.84 . . . . 10.0 111.511 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -45.44 153.82 0.22 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 125.74 2.686 . . . . 10.0 114.998 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 t -68.99 -28.72 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 CA-C-N 111.28 -2.691 . . . . 10.0 113.193 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.84 47.8 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 124.734 2.207 . . . . 10.0 111.633 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -29.76 66.94 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 111.172 -2.74 . . . . 10.0 111.525 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -75.39 -33.48 61.01 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 125.938 2.024 . . . . 10.0 113.065 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -34.01 77.07 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 127.156 2.785 . . . . 10.0 111.418 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mt -78.52 -34.17 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.009 0 CA-C-N 109.44 -3.527 . . . . 10.0 112.109 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -23.84 66.16 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-O 124.151 1.929 . . . . 10.0 112.593 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -70.86 -28.06 64.29 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.631 -1.293 . . . . 10.0 112.59 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.5 mt -90.61 -37.16 13.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 126.986 2.679 . . . . 10.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.23 166.91 17.12 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 110.562 -3.017 . . . . 10.0 114.215 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.94 68.13 0.07 OUTLIER Pre-proline 0 C--O 1.21 -1.003 0 CA-C-N 110.499 -3.046 . . . . 10.0 108.488 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -56.23 170.6 1.11 Allowed 'Trans proline' 0 C--O 1.21 -0.92 0 O-C-N 126.064 2.613 . . . . 10.0 113.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.31 138.62 36.15 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 111.927 -2.397 . . . . 10.0 111.43 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -105.19 130.85 53.25 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.969 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -125.31 97.86 5.39 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.571 -1.195 . . . . 10.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.64 131.34 33.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 C-N-CA 119.568 -0.853 . . . . 10.0 112.242 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 t -125.51 88.39 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 126.203 2.189 . . . . 10.0 111.314 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -86.15 141.33 29.45 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 113.36 -1.745 . . . . 10.0 110.408 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -156.23 66.15 0.57 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 126.181 2.175 . . . . 10.0 113.084 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 98.63 0.03 OUTLIER Glycine 0 C--O 1.213 -1.168 0 CA-C-N 110.943 -2.844 . . . . 10.0 109.17 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 72.85 -58.78 0.59 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 127.607 2.592 . . . . 10.0 110.686 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -59.57 139.73 56.91 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.668 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.465 ' HE2' ' CD2' ' A' ' 4' ' ' PHE . 8.9 ttm -152.9 89.81 1.41 Allowed 'General case' 0 CA--C 1.506 -0.713 1 O-C-N 129.107 4.004 . . . . 10.0 111.479 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mt -84.6 126.19 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 112.093 -2.321 . . . . 10.0 110.819 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.28 89.4 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 127.663 3.102 . . . . 10.0 109.136 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -85.65 126.95 34.32 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 127.837 3.21 . . . . 10.0 114.898 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 m -114.07 96.26 5.72 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-O 125.471 2.557 . . . . 10.0 111.463 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.48 115.67 17.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.165 -3.198 . . . . 10.0 114.611 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 p -158.91 132.38 7.36 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 111.874 -2.421 . . . . 10.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 p -47.99 -31.5 5.41 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 112.407 -2.178 . . . . 10.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' A' ' 32' ' ' ILE . 38.5 m-85 -64.99 -57.61 8.27 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 128.103 3.377 . . . . 10.0 113.983 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -157.45 129.53 7.16 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 123.118 1.437 . . . . 10.0 111.425 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -81.01 103.51 10.88 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.531 -1.668 . . . . 10.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.421 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 46.9 t80 -102.52 108.39 19.68 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 125.711 1.882 . . . . 10.0 113.352 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.44 126.07 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 112.147 -2.297 . . . . 10.0 111.678 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.51 120.49 5.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 112.742 -2.026 . . . . 10.0 112.62 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -64.41 159.39 21.4 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.394 2.309 . . . . 10.0 107.426 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -114.55 -47.5 2.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 127.047 2.717 . . . . 10.0 113.028 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 60.36 99.06 0.03 OUTLIER 'General case' 0 C--O 1.211 -0.968 0 O-C-N 125.795 1.934 . . . . 10.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG22 HG12 ' A' ' 86' ' ' VAL . 1.7 t -82.73 132.86 30.38 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 O-C-N 127.8 3.187 . . . . 10.0 110.539 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.15 -13.9 66.54 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 112.141 -2.3 . . . . 10.0 114.009 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 170.27 8.15 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 123.777 1.751 . . . . 10.0 109.918 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -81.67 118.49 22.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.015 -2.812 . . . . 10.0 107.7 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -99.5 148.18 24.52 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 112.592 -2.094 . . . . 10.0 115.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.83 77.77 1.14 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 112.984 -1.917 . . . . 10.0 112.684 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.65 139.2 13.01 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 126.087 2.117 . . . . 10.0 113.738 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -130.17 109.28 10.68 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 111.014 -2.812 . . . . 10.0 113.052 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.57 19.89 13.81 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 111.368 -2.651 . . . . 10.0 112.187 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.5 133.87 40.94 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.345 2.278 . . . . 10.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.99 -22.49 12.39 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-O 125.954 2.974 . . . . 10.0 108.56 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.439 ' N ' ' CD1' ' A' ' 77' ' ' ILE . 1.5 mp -101.7 -68.68 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.713 -2.244 . . . . 10.0 109.464 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -124.3 3.77 8.47 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 126.412 2.32 . . . . 10.0 112.709 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.31 64.44 1.36 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-O 123.283 1.516 . . . . 10.0 108.81 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.93 164.48 29.88 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 111.094 -2.776 . . . . 10.0 108.299 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.81 133.03 0.2 Allowed 'General case' 0 C--O 1.209 -1.029 0 O-C-N 125.047 1.467 . . . . 10.0 110.484 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.0 m -146.4 175.96 10.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 O-C-N 126.882 2.614 . . . . 10.0 110.679 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.8 mtm -80.87 155.62 26.47 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 111.139 -2.755 . . . . 10.0 108.111 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -154.6 160.82 41.7 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 110.914 -2.857 . . . . 10.0 113.479 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.3 131.02 8.97 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 124.2 1.953 . . . . 10.0 111.281 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.45 ' CG2' ' CE1' ' A' ' 64' ' ' PHE . 89.9 t -99.19 148.23 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-N 110.864 -2.88 . . . . 10.0 110.084 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.3 p -157.04 -177.6 6.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 113.536 -1.665 . . . . 10.0 113.123 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -118.83 137.54 53.34 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 110.704 -2.953 . . . . 10.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.5 39.71 2.44 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 111.794 -2.457 . . . . 10.0 111.238 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.8 -98.77 0.38 Allowed Glycine 0 C--O 1.219 -0.79 0 CA-C-O 125.089 2.494 . . . . 10.0 110.785 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.15 -51.68 2.84 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 110.973 -2.614 . . . . 10.0 108.797 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 109' ' ' TRP . 0.2 OUTLIER -57.39 153.25 12.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 111.53 -2.577 . . . . 10.0 113.896 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.5 tt -104.45 85.43 2.35 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 111.221 -2.718 . . . . 10.0 107.714 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.91 149.82 23.15 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 110.423 -3.081 . . . . 10.0 113.724 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.12 123.22 11.46 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 112.676 -2.057 . . . . 10.0 111.395 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.23 146.68 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 112.176 -2.284 . . . . 10.0 109.367 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.465 ' CB ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -110.83 133.26 53.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -96.84 29.06 3.17 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 127.937 3.273 . . . . 10.0 115.374 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.25 -177.86 4.22 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 112.756 -2.02 . . . . 10.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.83 -10.31 24.94 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.644 1.688 . . . . 10.0 111.827 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -83.16 -168.18 1.98 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 110.832 -2.895 . . . . 10.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -132.9 119.34 20.05 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.521 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.61 -28.77 6.34 Favored Glycine 0 C--N 1.332 0.337 0 N-CA-C 109.87 -1.292 . . . . 10.0 109.87 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.465 ' HB2' ' CB ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -50.41 135.58 21.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.088 1.423 . . . . 10.0 111.406 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.29 140.67 2.94 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-N 111.999 -2.364 . . . . 10.0 111.515 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.486 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -104.11 158.83 16.16 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 112.348 -1.926 . . . . 10.0 114.829 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -159.36 146.49 16.97 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.336 -2.665 . . . . 10.0 112.086 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.423 ' NE2' ' CE2' ' A' ' 4' ' ' PHE . 7.1 tt0 -167.33 148.55 5.64 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.415 -1.266 . . . . 10.0 113.441 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.47 ' HB2' ' CG ' ' A' ' 92' ' ' LYS . 13.1 t-105 -162.88 136.17 5.85 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 110.368 -3.106 . . . . 10.0 109.114 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 47.9 mt -94.82 130.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 O-C-N 127.058 2.724 . . . . 10.0 114.804 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 98.14 5.62 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 111.375 -2.648 . . . . 10.0 109.174 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.01 -118.43 5.37 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 111.303 -2.68 . . . . 10.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -111.91 42.6 1.71 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 114.107 -1.047 . . . . 10.0 111.63 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -150.93 133.7 15.77 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.27 -1.332 . . . . 10.0 114.308 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.441 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -92.77 112.92 25.04 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 112.612 -2.085 . . . . 10.0 110.006 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -124.16 92.99 3.78 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 124.257 1.98 . . . . 10.0 114.479 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.0 pp -90.81 173.62 7.9 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 122.747 1.26 . . . . 10.0 108.985 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -140.86 92.1 2.47 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 110.854 -2.885 . . . . 10.0 111.923 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.486 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mtp -86.77 138.08 31.9 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 113.026 -1.897 . . . . 10.0 111.798 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -134.01 162.62 31.58 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 127.724 3.14 . . . . 10.0 110.282 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 165.4 133.7 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 125.529 1.768 . . . . 10.0 111.653 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 55.37 36.25 26.7 Favored 'General case' 0 CA--C 1.5 -0.957 0 O-C-N 126.536 2.397 . . . . 10.0 114.41 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.02 20.04 78.71 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 114.922 -1.035 . . . . 10.0 111.529 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.63 136.13 54.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.999 1.646 . . . . 10.0 109.139 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 25.6 m -116.19 141.27 48.36 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 126.193 2.183 . . . . 10.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.1 149.06 29.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 125.602 1.814 . . . . 10.0 109.225 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 122.68 16.96 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 113.527 -1.67 . . . . 10.0 114.22 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -100.2 136.65 39.77 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 125.961 2.038 . . . . 10.0 108.46 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.42 94.72 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-O 125.854 2.74 . . . . 10.0 110.996 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 10' ' ' MET . 7.0 m-85 -89.74 170.14 10.69 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 111.539 -2.573 . . . . 10.0 111.782 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -154.39 135.57 13.98 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.991 -1.459 . . . . 10.0 113.966 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 134' ' ' HIS . 12.5 tttt -59.11 153.38 18.15 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 114.121 -1.399 . . . . 10.0 111.165 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 t -134.16 -52.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 CA-C-N 113.765 -1.561 . . . . 10.0 110.331 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 132' ' ' LYS . 0.6 OUTLIER . . . . . 0 CA--C 1.506 -0.721 0 CA-C-O 115.131 -2.366 . . . . 10.0 108.527 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 114.071 1.137 . . . . 10.0 114.071 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -103.21 -5.29 23.29 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.302 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -61.18 153.09 26.9 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 125.136 2.398 . . . . 10.0 110.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 114.7 -173.67 14.95 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 112.456 -2.156 . . . . 10.0 110.06 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.502 ' CD1' ' HG2' ' A' ' 41' ' ' GLU . 8.0 m-85 -115.38 121.93 44.29 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 114.351 -0.925 . . . . 10.0 112.867 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.486 ' CZ3' HD13 ' A' ' 115' ' ' LEU . 4.8 m0 -105.97 112.39 25.41 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 126.657 2.473 . . . . 10.0 111.719 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HB3' ' CG2' ' A' ' 133' ' ' VAL . 13.6 pttp -93.39 148.32 22.16 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttm -90.82 144.23 25.92 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 123.644 1.688 . . . . 10.0 113.752 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.03 -39.87 5.39 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 111.339 -2.664 . . . . 10.0 112.368 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -171.57 -179.0 2.42 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 112.912 -1.949 . . . . 10.0 111.184 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.46 147.43 19.01 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 112.681 -2.054 . . . . 10.0 110.322 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -117.87 138.24 52.25 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 113.225 -1.807 . . . . 10.0 112.979 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 61.03 34.05 19.42 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 123.317 1.532 . . . . 10.0 109.703 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -69.59 -41.04 76.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 113.723 -1.581 . . . . 10.0 111.853 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.87 -29.84 62.32 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.958 -0.565 . . . . 10.0 112.01 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.31 -30.07 60.24 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 125.419 1.699 . . . . 10.0 111.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.48 ' CZ ' ' HE1' ' A' ' 119' ' ' MET . 0.5 OUTLIER -73.32 -30.61 63.48 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 110.753 -2.93 . . . . 10.0 112.833 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.6 -40.47 56.45 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 125.921 2.013 . . . . 10.0 111.683 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -21.55 63.92 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.383 2.302 . . . . 10.0 113.9 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.15 58.48 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.997 -2.365 . . . . 10.0 112.672 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -97.75 20.1 12.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 O-C-N 125.454 1.721 . . . . 10.0 114.184 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 57.76 43.35 22.07 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 113.392 -1.731 . . . . 10.0 114.158 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 29' ' ' LEU . 5.6 t -78.95 150.97 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 CA-C-N 111.052 -2.795 . . . . 10.0 113.72 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -67.96 151.16 47.54 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-O 123.655 1.693 . . . . 10.0 112.431 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -67.26 -21.86 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 114.915 1.45 . . . . 10.0 114.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.17 53.78 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 110.784 -2.916 . . . . 10.0 110.365 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -77.28 -22.68 51.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 111.89 -2.414 . . . . 10.0 109.995 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -30.26 42.43 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.067 2.729 . . . . 10.0 111.731 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -69.72 -38.42 76.89 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 110.544 -3.026 . . . . 10.0 113.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.453 HG23 ' CZ ' ' A' ' 57' ' ' PHE . 45.8 mt -77.08 -25.13 15.33 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 111.868 -2.424 . . . . 10.0 111.986 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.06 66.83 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 125.344 2.497 . . . . 10.0 113.569 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.32 -26.71 61.16 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 111.025 -2.807 . . . . 10.0 113.21 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -104.33 14.44 30.22 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 110.421 -3.081 . . . . 10.0 112.158 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mt -98.79 128.18 44.94 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 114.169 -1.378 . . . . 10.0 112.407 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -143.28 64.53 14.12 Favored Pre-proline 0 N--CA 1.449 -0.522 0 CA-C-N 113.777 -1.556 . . . . 10.0 113.062 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -74.85 152.3 41.38 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-N 114.308 -0.997 . . . . 10.0 114.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.22 120.24 41.8 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 110.353 -3.112 . . . . 10.0 108.3 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -82.35 156.47 24.22 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 124.891 2.282 . . . . 10.0 110.671 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' HG2' ' CD1' ' A' ' 7' ' ' TYR . 70.5 mt-10 -140.06 103.76 4.69 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 110.272 -3.149 . . . . 10.0 110.618 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.425 ' CD1' ' CH2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -100.67 147.41 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 CA-C-N 110.621 -2.99 . . . . 10.0 110.792 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -150.03 90.97 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 O-C-N 128.614 3.696 . . . . 10.0 113.186 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -86.55 118.0 25.69 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 110.007 -3.269 . . . . 10.0 108.407 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -119.01 42.45 2.81 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.617 -1.174 . . . . 10.0 113.846 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.9 106.73 0.21 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 108.92 -1.672 . . . . 10.0 108.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 70.56 -66.13 0.3 Allowed 'General case' 0 C--N 1.343 0.316 0 O-C-N 125.523 1.367 . . . . 10.0 108.26 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.57 149.77 45.56 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 126.403 2.314 . . . . 10.0 109.201 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 ttp -153.53 153.02 31.61 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 127.512 3.007 . . . . 10.0 111.948 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 146.24 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 127.282 2.864 . . . . 10.0 109.829 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.7 mt -137.2 100.58 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.668 1.187 . . . . 10.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -103.96 112.78 25.9 Favored 'General case' 0 C--O 1.208 -1.079 0 O-C-N 128.922 3.889 . . . . 10.0 114.58 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 m -98.8 108.91 21.72 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 124.111 1.91 . . . . 10.0 109.164 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.49 93.66 7.33 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 110.733 -2.939 . . . . 10.0 114.703 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.02 41.17 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 110.628 -2.987 . . . . 10.0 108.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -88.42 54.72 3.14 Favored 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 125.595 1.809 . . . . 10.0 112.876 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' CZ ' HG23 ' A' ' 32' ' ' ILE . 32.4 m-85 -143.85 -71.45 0.29 Allowed 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 127.406 2.941 . . . . 10.0 112.281 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 4.98 1.98 Allowed 'General case' 0 CA--C 1.494 -1.183 0 C-N-CA 116.998 -1.881 . . . . 10.0 115.645 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.3 172.74 0.13 Allowed 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 117.315 -1.754 . . . . 10.0 113.651 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 177.3 105.71 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.847 1.785 . . . . 10.0 112.305 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.93 138.99 53.14 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 CA-C-N 113.855 -1.52 . . . . 10.0 112.92 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 mtp -146.56 158.37 43.89 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.181 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.4 46.64 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 125.269 1.605 . . . . 10.0 107.962 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.29 93.86 4.34 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 115.589 1.7 . . . . 10.0 115.589 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.3 93.35 1.48 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 113.255 -1.793 . . . . 10.0 108.481 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.32 133.65 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 CA-C-N 114.616 -1.174 . . . . 10.0 113.804 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.39 -15.13 62.02 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 127.501 3.001 . . . . 10.0 113.982 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -106.67 154.0 21.58 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 125.352 1.266 . . . . 10.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.7 126.4 52.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.082 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -142.06 176.62 8.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.731 -1.122 . . . . 10.0 113.258 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.22 156.79 33.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 114.921 -1.036 . . . . 10.0 111.657 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -136.43 100.95 4.51 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 125.799 1.937 . . . . 10.0 108.855 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.36 111.31 23.67 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 115.112 1.523 . . . . 10.0 115.112 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.0 mt -113.32 56.9 0.68 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.051 -1.886 . . . . 10.0 109.167 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.8 15.97 10.21 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 112.551 -2.113 . . . . 10.0 114.123 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.32 12.33 5.5 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 113.66 -1.609 . . . . 10.0 110.781 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.51 -61.71 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.02 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.97 15.3 1.72 Allowed 'General case' 0 CA--C 1.502 -0.887 0 O-C-N 127.713 3.133 . . . . 10.0 113.647 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 37.16 87.97 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 O-C-N 125.876 1.985 . . . . 10.0 114.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -58.69 2.12 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.628 1.344 . . . . 10.0 114.628 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mttt 68.99 107.34 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 128.937 3.898 . . . . 10.0 108.468 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.8 -168.13 2.9 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 126.728 2.518 . . . . 10.0 112.556 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mmt -124.82 147.39 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 125.14 1.525 . . . . 10.0 107.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 m -143.18 143.39 31.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 124.622 2.153 . . . . 10.0 113.557 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.1 m -141.22 132.67 26.84 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.011 -2.359 . . . . 10.0 110.059 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.1 t -100.92 115.47 42.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 127.853 3.221 . . . . 10.0 110.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.31 137.38 46.39 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 113.499 -1.682 . . . . 10.0 109.136 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 116.08 21.43 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 127.209 2.818 . . . . 10.0 108.159 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.8 -4.87 15.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 127.864 3.227 . . . . 10.0 111.8 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.41 138.32 3.92 Favored Glycine 0 C--O 1.218 -0.869 0 O-C-N 125.092 1.495 . . . . 10.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.89 -74.44 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 125.853 1.561 . . . . 10.0 111.472 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.16 146.63 24.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.386 2.929 . . . . 10.0 108.29 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.46 145.56 24.41 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 125.855 1.972 . . . . 10.0 111.966 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -123.42 122.09 37.4 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 126.313 2.258 . . . . 10.0 112.777 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.2 m -124.38 92.53 3.68 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 114.263 -1.335 . . . . 10.0 109.09 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.2 t -90.76 139.54 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 124.54 1.15 . . . . 10.0 111.026 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -115.53 109.26 17.55 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.343 -2.208 . . . . 10.0 108.849 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.19 108.49 16.47 Favored 'General case' 0 C--O 1.207 -1.154 0 CA-C-O 122.905 1.335 . . . . 10.0 114.211 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.42 -137.15 3.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 110.719 -2.946 . . . . 10.0 111.704 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.12 -43.09 3.61 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 113.457 -1.372 . . . . 10.0 114.232 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.0 169.98 15.81 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 125.889 1.993 . . . . 10.0 113.82 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -84.95 165.39 17.65 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 109.842 -3.345 . . . . 10.0 109.694 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.01 -98.05 2.11 Favored Glycine 0 C--O 1.213 -1.183 0 CA-C-N 111.315 -2.675 . . . . 10.0 109.717 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 25.72 69.95 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.781 1 O-C-N 130.046 4.027 . . . . 10.0 111.994 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.89 111.17 0.39 Allowed Glycine 0 C--N 1.351 1.371 0 CA-C-N 111.528 -2.578 . . . . 10.0 114.461 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.528 ' CE2' ' CG ' ' A' ' 119' ' ' MET . 10.7 m0 -90.32 138.02 31.87 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 124.995 2.331 . . . . 10.0 112.968 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.93 115.0 22.9 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 112.193 -2.276 . . . . 10.0 112.069 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -89.02 152.27 21.79 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.932 -1.94 . . . . 10.0 110.978 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -161.42 96.53 1.07 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.513 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.06 152.13 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 113.376 -1.738 . . . . 10.0 109.993 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -160.2 97.43 1.25 Allowed 'General case' 0 C--N 1.345 0.38 0 CA-C-N 114.037 -1.438 . . . . 10.0 112.398 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 58.39 -104.14 0.44 Allowed Glycine 0 C--O 1.207 -1.541 0 O-C-N 126.238 2.211 . . . . 10.0 113.329 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.08 42.97 3.07 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.307 1.527 . . . . 10.0 110.042 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -157.37 127.39 6.25 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 111.835 -2.439 . . . . 10.0 113.058 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.486 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -103.53 104.8 14.9 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 113.208 -1.814 . . . . 10.0 109.512 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -91.74 80.94 5.26 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.334 0.865 . . . . 10.0 113.334 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.508 HD23 ' CE3' ' A' ' 106' ' ' TRP . 1.1 tp -81.51 141.21 34.03 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-O 125.763 2.696 . . . . 10.0 113.648 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -106.98 109.58 21.51 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 109.753 -3.385 . . . . 10.0 108.292 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.528 ' CG ' ' CE2' ' A' ' 106' ' ' TRP . 0.8 OUTLIER -107.43 119.68 40.09 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 125.575 1.797 . . . . 10.0 115.112 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -115.89 142.52 46.67 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.775 -1.557 . . . . 10.0 109.899 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -167.59 105.9 0.53 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.491 -1.231 . . . . 10.0 112.672 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.48 36.67 2.17 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 110.234 -3.166 . . . . 10.0 114.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.58 -1.12 89.19 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 112.716 -2.038 . . . . 10.0 111.615 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.65 123.13 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 C-N-CA 118.87 -1.132 . . . . 10.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 74.3 m -91.84 122.07 34.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.691 2.495 . . . . 10.0 112.818 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 130.25 41.3 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 127.638 3.086 . . . . 10.0 109.306 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -119.68 114.73 22.63 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 123.717 1.722 . . . . 10.0 114.109 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -93.64 140.29 29.8 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 113.936 -1.484 . . . . 10.0 108.589 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.42 114.08 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 CA-C-N 113.514 -1.676 . . . . 10.0 114.648 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.474 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 10.0 m-30 -101.21 175.52 5.56 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.62 -0.832 . . . . 10.0 112.123 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 9' ' ' LYS . 10.4 tptm -154.33 109.62 3.13 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 122.984 1.374 . . . . 10.0 108.814 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -55.25 108.42 0.41 Allowed 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.418 -1.719 . . . . 10.0 113.474 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 23.6 t -81.59 -24.75 9.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 126.802 2.564 . . . . 10.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 113.541 -3.123 . . . . 10.0 111.944 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 CA--C 1.499 -1.008 0 CA-C-O 126.645 3.117 . . . . 10.0 113.059 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CZ ' HD12 ' A' ' 93' ' ' LEU . 1.5 m-85 -99.97 -7.75 24.77 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.839 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.39 142.42 55.43 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 125.449 1.718 . . . . 10.0 110.466 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.75 -158.13 27.58 Favored Glycine 0 CA--C 1.497 -1.033 0 CA-C-N 111.288 -2.687 . . . . 10.0 113.015 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 41' ' ' GLU . 3.1 m-85 -130.34 99.36 5.0 Favored 'General case' 0 CA--C 1.496 -1.135 0 O-C-N 127.02 2.247 . . . . 10.0 113.094 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.514 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 1.1 m0 -98.0 135.82 39.16 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 123.814 1.768 . . . . 10.0 110.074 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.99 157.27 38.26 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 110.831 -2.895 . . . . 10.0 108.822 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -55.11 179.99 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 127.608 3.068 . . . . 10.0 114.047 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' HG ' ' HB2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -162.37 -51.98 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.276 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -164.15 165.84 21.77 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 125.603 1.814 . . . . 10.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.34 117.33 27.5 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 111.51 -2.586 . . . . 10.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.74 129.01 54.3 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.694 -1.593 . . . . 10.0 112.492 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 47.3 37.75 6.29 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 125.476 1.735 . . . . 10.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -78.86 -21.35 47.66 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-N 113.649 -1.614 . . . . 10.0 111.658 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.67 -45.85 28.02 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 114.115 1.154 . . . . 10.0 114.115 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -21.87 64.38 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.048 2.832 . . . . 10.0 113.849 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.452 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 80.1 t80 -75.78 -30.23 59.04 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 111.832 -2.44 . . . . 10.0 114.412 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.5 mt -74.05 -28.75 61.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 128.972 3.92 . . . . 10.0 113.022 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -72.99 -22.37 60.69 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 110.423 -3.08 . . . . 10.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.5 67.49 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.127 1.517 . . . . 10.0 114.359 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.69 12.73 34.4 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 112.491 -2.14 . . . . 10.0 114.459 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 49.38 30.96 3.55 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 124.089 1.9 . . . . 10.0 114.487 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -62.42 147.33 11.69 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 CA-C-N 111.998 -2.364 . . . . 10.0 110.652 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 1.3 m120 -55.54 149.07 14.35 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.025 2.703 . . . . 10.0 111.41 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.77 -26.05 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 111.315 -2.675 . . . . 10.0 114.142 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.02 -41.58 61.61 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 125.457 2.551 . . . . 10.0 112.475 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -71.51 -29.59 64.96 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 112.323 -2.217 . . . . 10.0 112.823 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -74.37 -24.37 59.13 Favored 'General case' 0 CA--C 1.514 -0.422 0 O-C-N 126.35 2.281 . . . . 10.0 110.273 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -78.21 -39.83 39.31 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 110.793 -2.912 . . . . 10.0 109.43 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.504 HG22 ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mt -74.51 -36.59 42.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 126.971 2.669 . . . . 10.0 112.978 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.15 -21.65 63.99 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.367 1.247 . . . . 10.0 114.367 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.84 -29.49 64.46 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 127.454 2.971 . . . . 10.0 109.836 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.6 mt -89.6 -24.77 21.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HD3' ' A' ' 38' ' ' PRO . 4.0 pp -96.66 166.42 11.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 126.572 2.42 . . . . 10.0 114.983 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -150.92 102.11 3.03 Favored Pre-proline 0 C--O 1.214 -0.802 0 O-C-N 128.611 3.694 . . . . 10.0 107.684 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 9.2 Cg_endo -77.05 147.8 26.97 Favored 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-O 126.746 2.728 . . . . 10.0 115.539 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -108.23 128.55 54.82 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 110.13 -3.214 . . . . 10.0 109.019 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -107.26 144.42 34.09 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 7' ' ' TYR . 8.9 mt-10 -125.22 101.71 7.12 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 112.264 -2.244 . . . . 10.0 108.496 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 HD12 ' CE2' ' A' ' 8' ' ' TRP . 4.6 mp -106.71 142.86 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.867 0 CA-C-O 124.588 2.137 . . . . 10.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.31 139.38 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 CA-C-N 109.963 -3.29 . . . . 10.0 111.388 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -128.88 102.09 6.38 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.871 -2.877 . . . . 10.0 108.816 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -88.44 -33.16 17.95 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 114.335 -1.302 . . . . 10.0 111.363 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.49 -92.91 0.09 OUTLIER Glycine 0 C--O 1.211 -1.288 0 O-C-N 127.052 2.72 . . . . 10.0 113.033 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.72 -45.79 27.98 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.855 -2.672 . . . . 10.0 110.723 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -89.3 164.04 15.09 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.836 -2.438 . . . . 10.0 112.825 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.7 ttm -156.08 102.59 2.15 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.104 -1.407 . . . . 10.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.7 mt -87.22 136.14 23.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 125.746 1.904 . . . . 10.0 110.098 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mt -114.81 128.9 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 128.39 3.556 . . . . 10.0 110.291 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -117.7 123.53 46.3 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 111.214 -2.721 . . . . 10.0 110.144 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -119.77 118.38 30.69 Favored 'General case' 0 CA--C 1.494 -1.203 0 O-C-N 128.441 3.588 . . . . 10.0 108.897 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.29 90.9 3.5 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.191 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.0 p -103.17 0.59 31.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 124.412 2.054 . . . . 10.0 109.783 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 72.48 -61.58 0.49 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 111.827 -2.442 . . . . 10.0 110.106 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -49.57 -46.61 49.14 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 123.988 1.851 . . . . 10.0 110.82 179.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.01 107.48 2.08 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 113.381 -1.736 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 59' ' ' ASN . 1.2 m120 -83.14 140.86 32.36 Favored 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 126.097 2.123 . . . . 10.0 109.829 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.8 115.8 26.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 113.576 -1.647 . . . . 10.0 110.4 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -129.66 118.91 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.818 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 mtt -137.25 157.92 45.56 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 110.47 -3.059 . . . . 10.0 108.337 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -112.13 95.14 5.29 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 125.801 2.715 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.9 150.34 46.86 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 110.691 -2.959 . . . . 10.0 111.547 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' HB2' ' HB3' ' A' ' 68' ' ' LYS . 31.5 mt-30 -137.74 109.02 6.85 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 112.189 -2.278 . . . . 10.0 111.011 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.82 122.48 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 O-C-N 127.727 3.142 . . . . 10.0 113.371 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.77 -2.85 87.75 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 112.927 -1.942 . . . . 10.0 114.473 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 65' ' ' GLN . 1.2 ttmt -114.31 147.58 38.86 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.259 1.028 . . . . 10.0 111.347 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.87 141.73 28.1 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 112.972 -1.922 . . . . 10.0 113.759 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 20.9 p90 -161.35 163.7 30.54 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 126.775 2.547 . . . . 10.0 110.556 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.78 158.79 35.47 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.281 1.613 . . . . 10.0 112.811 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.3 OUTLIER -138.62 96.3 3.13 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 111.306 -2.679 . . . . 10.0 111.95 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.81 107.9 19.57 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 110.813 -2.903 . . . . 10.0 112.602 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASP . 16.5 mt -102.94 62.05 0.8 Allowed 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 109.893 -3.321 . . . . 10.0 112.305 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -104.33 24.74 11.09 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 125.317 2.484 . . . . 10.0 112.714 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.16 17.63 5.36 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 109.886 -3.324 . . . . 10.0 109.757 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.1 mt -151.06 -60.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 112.92 -1.64 . . . . 10.0 114.336 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -131.74 -1.37 3.81 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 115.836 1.791 . . . . 10.0 115.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' LEU . 18.3 m-20 51.59 95.24 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 124.167 1.937 . . . . 10.0 114.711 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.08 128.08 0.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 110.642 -2.981 . . . . 10.0 112.126 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -90.83 135.6 33.62 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 125.401 1.688 . . . . 10.0 112.379 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 72' ' ' GLU . 64.6 m -147.21 171.55 15.2 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 112.83 -1.986 . . . . 10.0 111.843 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 mtp -115.46 151.62 34.44 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.81 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 m -132.56 147.22 52.35 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.32 127.14 23.77 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 124.502 1.121 . . . . 10.0 109.709 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.1 t -103.02 136.43 35.65 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 125.541 2.591 . . . . 10.0 109.87 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.81 147.25 33.84 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 111.018 -2.81 . . . . 10.0 112.191 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -95.83 153.57 17.68 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 113.932 -1.485 . . . . 10.0 109.732 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -123.57 -57.53 1.64 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 113.752 -1.567 . . . . 10.0 112.671 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.53 83.63 0.1 Allowed Glycine 0 C--O 1.21 -1.405 0 O-C-N 126.571 2.42 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 52.96 32.71 13.16 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.356 -2.422 . . . . 10.0 111.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -142.17 122.95 14.32 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 127.624 3.078 . . . . 10.0 108.688 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.463 HD12 ' CZ ' ' A' ' 4' ' ' PHE . 9.4 tt -88.95 107.69 19.16 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 126.531 2.394 . . . . 10.0 110.223 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.89 165.5 11.15 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 125.827 1.954 . . . . 10.0 110.435 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.8 t -137.2 104.66 5.47 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 125.597 1.811 . . . . 10.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.6 t -99.99 100.86 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 109.823 -3.353 . . . . 10.0 113.88 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -103.29 114.55 28.93 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 111.202 -2.726 . . . . 10.0 107.986 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -64.21 -64.46 0.88 Allowed 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.131 1.52 . . . . 10.0 112.422 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 44.42 -142.65 2.87 Favored Glycine 0 N--CA 1.471 1.026 0 O-C-N 124.89 1.369 . . . . 10.0 112.814 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -113.56 148.43 36.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 113.437 -1.382 . . . . 10.0 112.93 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt 68.92 179.11 0.24 Allowed 'General case' 0 C--O 1.217 -0.608 0 O-C-N 128.09 3.368 . . . . 10.0 109.57 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.76 163.87 12.63 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 126.692 2.495 . . . . 10.0 109.643 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.01 -40.88 2.27 Favored Glycine 0 C--N 1.346 1.098 0 O-C-N 125.526 1.766 . . . . 10.0 112.644 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -39.89 130.33 2.02 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.096 1.704 . . . . 10.0 112.213 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.93 141.97 6.19 Favored Glycine 0 CA--C 1.497 -1.054 0 O-C-N 126.672 2.483 . . . . 10.0 112.22 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -117.32 -177.65 3.27 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 126.888 3.232 . . . . 10.0 114.135 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.61 146.61 19.66 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 110.605 -2.998 . . . . 10.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 162.26 32.51 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.89 -2.868 . . . . 10.0 110.069 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -170.06 119.69 0.61 Allowed 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 112.992 -1.913 . . . . 10.0 110.376 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 79.9 mt -87.64 109.02 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.67 -1.15 . . . . 10.0 113.477 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.39 118.29 26.37 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 127.862 3.226 . . . . 10.0 114.308 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 56.64 -100.93 0.12 Allowed Glycine 0 C--N 1.345 1.063 0 CA-C-N 111.695 -2.502 . . . . 10.0 111.202 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.94 31.11 4.23 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-O 124.085 1.897 . . . . 10.0 112.234 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -125.31 165.0 19.13 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.02 -2.354 . . . . 10.0 109.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.31 75.9 1.46 Allowed 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 128.351 3.532 . . . . 10.0 109.227 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -69.33 115.98 9.23 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.105 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.69 123.34 48.07 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 111.161 -2.745 . . . . 10.0 108.193 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.44 100.72 8.99 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 127.757 3.161 . . . . 10.0 111.521 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 25.4 mtp -90.37 138.25 31.7 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 127.341 2.901 . . . . 10.0 110.342 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 mtp-105 -129.18 140.99 51.29 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 126.49 2.369 . . . . 10.0 109.152 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -176.27 121.9 0.16 Allowed 'General case' 0 C--O 1.215 -0.724 0 O-C-N 125.352 1.657 . . . . 10.0 112.815 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.59 25.66 13.18 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 111.313 -2.676 . . . . 10.0 112.125 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.69 9.21 87.06 Favored Glycine 0 CA--C 1.499 -0.908 0 CA-C-N 113.532 -1.667 . . . . 10.0 112.693 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.28 139.74 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 112.796 -1.702 . . . . 10.0 108.467 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 m -110.48 127.61 55.23 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 125.412 1.695 . . . . 10.0 115.03 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 36.5 t -136.26 125.05 23.94 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.027 -2.806 . . . . 10.0 109.004 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -117.29 83.83 2.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.168 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -69.5 136.57 51.62 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 118.335 -1.346 . . . . 10.0 107.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.91 149.37 12.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 CA-C-O 126.498 3.047 . . . . 10.0 113.815 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -149.83 133.52 16.78 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 109.925 -3.307 . . . . 10.0 111.368 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.42 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 2.3 tptm -112.5 104.75 12.86 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.524 1.765 . . . . 10.0 114.969 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 131.51 50.22 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.28 -1.327 . . . . 10.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.57 -41.76 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 N-CA-C 114.99 1.478 . . . . 10.0 114.99 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 . . . . . 0 C--O 1.259 1.589 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.213 -179.771 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.199 0.999 . . . . 10.0 113.338 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.73 -11.95 52.35 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 112.585 -2.098 . . . . 10.0 111.378 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -63.52 114.3 3.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 113.458 -1.701 . . . . 10.0 109.618 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.57 -156.27 26.49 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 111.348 -2.66 . . . . 10.0 111.522 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -124.35 100.55 6.74 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 111.539 -2.33 . . . . 10.0 108.673 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CZ3' HD12 ' A' ' 115' ' ' LEU . 7.1 m95 -104.53 121.66 43.94 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 119.922 -0.711 . . . . 10.0 111.661 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' CE ' HG22 ' A' ' 133' ' ' VAL . 42.8 mmtt -95.2 173.35 7.6 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.826 -1.988 . . . . 10.0 108.753 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mtm -125.57 124.53 41.47 Favored 'General case' 0 C--O 1.211 -0.937 1 O-C-N 130.049 4.593 . . . . 10.0 108.2 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.485 HD22 ' CB ' ' A' ' 131' ' ' LYS . 2.6 mm? -110.02 -40.34 4.77 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.205 2.907 . . . . 10.0 115.398 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.0 p -135.88 170.02 16.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 109.473 -3.512 . . . . 10.0 114.821 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.51 176.24 8.14 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 110.91 -2.859 . . . . 10.0 108.438 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -147.92 -53.48 0.2 Allowed 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.933 2.646 . . . . 10.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -134.58 35.14 3.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 128.34 3.525 . . . . 10.0 114.511 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -68.33 -25.2 64.99 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 125.704 2.668 . . . . 10.0 114.349 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.81 -35.94 62.46 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.572 -2.104 . . . . 10.0 109.307 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -25.03 44.56 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-O 123.972 1.844 . . . . 10.0 113.519 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.423 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 66.4 t80 -73.02 -24.74 60.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.738 -2.483 . . . . 10.0 113.874 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.58 -33.34 41.78 Favored 'General case' 0 CA--C 1.493 -1.223 0 CA-C-O 124.181 1.944 . . . . 10.0 112.967 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -25.38 62.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 123.857 1.789 . . . . 10.0 110.266 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.19 62.66 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.23 6.69 17.54 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 124.682 1.239 . . . . 10.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.97 84.31 0.11 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 125.061 2.362 . . . . 10.0 112.16 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 t -116.65 144.5 24.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 113.379 -1.737 . . . . 10.0 109.646 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -61.99 154.9 25.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.93 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.2 -25.61 34.3 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-O 124.303 2.001 . . . . 10.0 114.733 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.77 -31.31 56.96 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.012 -2.358 . . . . 10.0 114.129 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.05 -23.32 44.32 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 111.144 -2.753 . . . . 10.0 112.005 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 31' ' ' LYS . 2.4 ppt_? -76.98 -24.06 52.28 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.808 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -76.23 -34.49 59.21 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 124.605 1.19 . . . . 10.0 110.812 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -78.01 -27.09 14.77 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 CA-C-O 124.189 1.947 . . . . 10.0 112.152 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.29 54.28 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 111.522 -2.581 . . . . 10.0 112.11 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -80.04 -32.46 39.46 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.002 2.81 . . . . 10.0 108.928 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 mt -81.79 -0.33 42.72 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 111.379 -2.646 . . . . 10.0 111.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.63 130.36 52.65 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 123.403 1.573 . . . . 10.0 113.287 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -152.72 63.25 4.79 Favored Pre-proline 0 C--O 1.208 -1.089 0 CA-C-N 113.131 -1.849 . . . . 10.0 109.518 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 172.63 13.94 Favored 'Trans proline' 0 CA--C 1.498 -1.317 0 C-N-CA 122.572 2.181 . . . . 10.0 111.393 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.6 132.0 54.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 111.314 -2.675 . . . . 10.0 109.413 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HE2' ' CE2' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -87.97 128.71 35.38 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 111.436 -2.62 . . . . 10.0 111.428 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -110.56 99.97 8.85 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.413 HG12 ' CD1' ' A' ' 8' ' ' TRP . 7.2 mm -88.91 137.03 22.02 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-O 121.893 0.854 . . . . 10.0 112.558 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -137.56 73.89 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 111.782 -2.463 . . . . 10.0 111.414 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.83 146.04 33.91 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 125.841 2.734 . . . . 10.0 113.413 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -151.98 75.79 1.16 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-N 110.552 -3.022 . . . . 10.0 111.683 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.96 -91.59 0.01 OUTLIER Glycine 0 C--O 1.211 -1.32 0 CA-C-N 112.626 -2.079 . . . . 10.0 114.104 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.06 49.78 0.81 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.116 -0.542 . . . . 10.0 110.579 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 17.4 t-160 -175.42 111.11 0.12 Allowed 'General case' 0 C--N 1.349 0.573 0 O-C-N 128.017 3.323 . . . . 10.0 111.162 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.5 mtp -130.88 90.79 2.95 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.873 1.358 . . . . 10.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.418 ' CD1' ' CE1' ' A' ' 48' ' ' HIS . 57.5 mt -81.74 122.22 36.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 126.216 2.197 . . . . 10.0 113.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.68 123.95 64.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.112 0 CA-C-N 113.348 -1.751 . . . . 10.0 111.288 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -118.29 144.88 45.48 Favored 'General case' 0 C--O 1.212 -0.868 0 CA-C-N 111.753 -2.476 . . . . 10.0 112.681 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -123.0 98.58 5.96 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 109.708 -3.406 . . . . 10.0 110.436 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -89.71 88.77 7.51 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 113.824 -1.534 . . . . 10.0 112.448 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 p -97.77 -43.01 7.33 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 127.603 3.064 . . . . 10.0 112.278 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 93.87 9.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.703 1 O-C-N 129.551 4.282 . . . . 10.0 111.636 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -59.38 2.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 109.8 -3.364 . . . . 10.0 109.701 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -156.2 49.38 0.5 Allowed 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.344 -3.116 . . . . 10.0 111.013 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -10.57 107.24 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.669 1 O-C-N 129.7 4.375 . . . . 10.0 115.044 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.38 111.43 23.78 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 113.112 -1.858 . . . . 10.0 114.835 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.75 126.41 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 113.488 -1.687 . . . . 10.0 109.788 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.4 mtp -125.82 123.66 39.2 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.368 3.542 . . . . 10.0 114.59 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -92.53 71.51 5.07 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 126.563 2.415 . . . . 10.0 108.683 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CD2' HG23 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -72.8 88.52 1.32 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 124.245 1.974 . . . . 10.0 113.854 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -90.14 116.78 28.41 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 113.052 -1.886 . . . . 10.0 109.119 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 124.09 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.71 0 CA-C-N 114.22 -1.355 . . . . 10.0 113.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 5.34 73.86 Favored Glycine 0 C--N 1.339 0.733 0 O-C-N 126.219 2.199 . . . . 10.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.6 141.57 46.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 112.338 -1.931 . . . . 10.0 111.259 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.24 137.37 48.07 Favored 'General case' 0 C--O 1.209 -1.049 0 O-C-N 126.697 2.498 . . . . 10.0 112.854 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.508 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 38.0 p90 -156.96 177.38 11.57 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 110.31 -3.132 . . . . 10.0 114.029 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.82 150.39 29.21 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 125.762 2.696 . . . . 10.0 114.244 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -114.63 146.79 40.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 111.319 -2.673 . . . . 10.0 109.666 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.47 106.32 10.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 110.415 -3.084 . . . . 10.0 111.648 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 79' ' ' ASP . 1.4 mp -97.04 37.23 1.33 Allowed 'General case' 0 C--O 1.21 -1.022 0 O-C-N 126.232 2.208 . . . . 10.0 110.45 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -0.14 19.6 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.943 -1.026 . . . . 10.0 113.634 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.64 19.8 6.99 Favored Glycine 0 C--O 1.219 -0.788 0 N-CA-C 108.66 -1.776 . . . . 10.0 108.66 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 11.3 mt -134.75 -60.84 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-O 123.434 1.587 . . . . 10.0 109.337 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.81 20.72 0.32 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.954 -1.93 . . . . 10.0 114.106 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 37.92 81.47 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 125.414 1.696 . . . . 10.0 114.214 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.472 ' HD2' ' CE ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -116.04 -60.46 1.86 Allowed 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 126.966 2.666 . . . . 10.0 113.969 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.99 107.22 0.07 Allowed 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 128.259 3.474 . . . . 10.0 110.481 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.37 -171.54 2.73 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 111.209 -2.723 . . . . 10.0 112.787 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 10.0 mtt -104.71 177.63 4.79 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.735 -2.938 . . . . 10.0 107.651 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.508 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -162.92 139.31 7.32 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 127.92 3.262 . . . . 10.0 113.678 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.68 148.97 30.68 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 109.783 -3.371 . . . . 10.0 109.441 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.516 HG23 ' CD2' ' A' ' 64' ' ' PHE . 2.8 t -135.23 137.7 49.77 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 112.09 -2.323 . . . . 10.0 111.559 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -132.53 173.01 11.77 Favored 'General case' 0 C--O 1.217 -0.653 1 O-C-N 129.919 4.512 . . . . 10.0 110.009 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -130.03 120.82 25.32 Favored 'General case' 0 CA--C 1.506 -0.719 0 O-C-N 126.496 2.373 . . . . 10.0 112.573 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -119.85 94.99 4.58 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.246 -1.797 . . . . 10.0 113.983 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.75 -128.69 8.77 Favored Glycine 0 CA--C 1.5 -0.849 0 O-C-N 126.39 2.306 . . . . 10.0 111.102 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.64 28.52 5.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.252 -2.474 . . . . 10.0 110.083 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -131.4 167.3 19.53 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.609 -1.632 . . . . 10.0 109.464 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 tp -132.07 128.9 39.2 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.307 -1.315 . . . . 10.0 111.384 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.83 140.29 34.62 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 126.493 2.371 . . . . 10.0 107.85 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 168.65 12.54 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 110.996 -2.82 . . . . 10.0 111.791 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.44 144.82 22.04 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 113.032 -1.895 . . . . 10.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -145.93 83.54 1.64 Allowed 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.599 -3.0 . . . . 10.0 109.91 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 113.12 21.69 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 125.029 2.347 . . . . 10.0 113.318 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.64 61.57 0.57 Allowed Glycine 0 C--O 1.211 -1.341 0 N-CA-C 107.913 -2.075 . . . . 10.0 107.913 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.28 83.71 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 124.071 1.891 . . . . 10.0 113.481 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' CE ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -166.34 171.2 12.31 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.964 -2.38 . . . . 10.0 111.479 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -106.82 129.48 54.66 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 128.008 3.317 . . . . 10.0 112.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 44.24 77.25 0.1 OUTLIER Glycine 0 C--O 1.208 -1.507 0 CA-C-O 126.017 3.01 . . . . 10.0 113.973 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -177.28 3.47 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 109.059 -3.57 . . . . 10.0 108.657 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.71 146.01 11.69 Favored Glycine 0 N--CA 1.472 1.096 0 CA-C-N 112.307 -2.224 . . . . 10.0 111.846 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -101.82 158.77 15.88 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 112.696 -1.752 . . . . 10.0 109.937 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 108' ' ' GLN . 0.4 OUTLIER -146.8 169.88 18.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.236 2.21 . . . . 10.0 108.842 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' N ' ' CG2' ' A' ' 107' ' ' THR . 2.3 mt-30 -149.82 149.7 30.9 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 126.355 2.285 . . . . 10.0 109.983 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -158.55 139.9 13.32 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 113.291 -1.777 . . . . 10.0 111.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.5 127.11 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 125.878 1.986 . . . . 10.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -98.75 -44.28 6.46 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.325 1.536 . . . . 10.0 114.159 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 155.23 100.75 0.18 Allowed Glycine 0 C--O 1.21 -1.388 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.921 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.43 28.98 14.46 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 112.532 -1.834 . . . . 10.0 110.397 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.84 93.88 0.15 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 125.477 2.561 . . . . 10.0 108.885 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.496 HD12 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -66.23 161.85 21.26 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 111.45 -2.614 . . . . 10.0 110.56 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -152.1 143.33 23.27 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 109.69 -3.414 . . . . 10.0 111.989 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 159.9 41.96 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 127.225 2.828 . . . . 10.0 113.073 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.4 121.69 37.26 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 112.108 -2.315 . . . . 10.0 109.101 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.5 mtp -107.64 116.49 32.05 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 111.795 -2.457 . . . . 10.0 112.002 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -127.24 167.32 16.26 Favored 'General case' 0 CA--C 1.498 -1.025 0 O-C-N 125.979 2.05 . . . . 10.0 111.764 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 162.09 128.47 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 127.02 2.7 . . . . 10.0 109.327 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.5 22.26 5.23 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 126.863 2.602 . . . . 10.0 113.413 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.03 10.97 85.99 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 126.164 2.165 . . . . 10.0 113.968 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.1 t -113.35 135.11 53.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.105 0 CA-C-N 113.208 -1.496 . . . . 10.0 109.409 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.47 166.71 10.9 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 125.744 1.902 . . . . 10.0 114.841 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 7.8 t -164.06 131.16 3.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 111.45 -2.613 . . . . 10.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -125.27 146.14 49.68 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 125.687 1.867 . . . . 10.0 114.234 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 135.56 44.12 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 128.649 3.718 . . . . 10.0 113.907 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.0 t -99.8 154.42 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 126.378 2.299 . . . . 10.0 109.199 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.437 ' CE2' ' HE2' ' A' ' 40' ' ' LYS . 2.9 m-85 -133.55 167.56 20.24 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 127.935 3.272 . . . . 10.0 112.965 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.485 ' CB ' HD22 ' A' ' 11' ' ' LEU . 8.4 tptm -143.53 115.18 8.15 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 127.249 2.843 . . . . 10.0 110.947 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 154.58 35.32 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.351 -1.749 . . . . 10.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.419 HG22 ' CE ' ' A' ' 9' ' ' LYS . 57.4 t -136.03 -54.34 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 127.846 3.216 . . . . 10.0 110.136 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.247 0.962 0 CA-C-N 111.503 -2.59 . . . . 10.0 114.214 -179.747 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 124.77 2.224 . . . . 10.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -136.11 76.99 1.63 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 111.19 -2.732 . . . . 10.0 108.492 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -149.3 107.6 3.77 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 110.641 -2.981 . . . . 10.0 110.359 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.4 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 164.54 -166.62 37.98 Favored Glycine 0 C--O 1.221 -0.678 0 C-N-CA 118.828 -1.653 . . . . 10.0 113.402 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 4.0 m-85 -116.23 102.49 9.62 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.672 2.042 . . . . 10.0 112.881 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CZ3' ' HG3' ' A' ' 132' ' ' LYS . 4.1 m95 -107.93 123.66 48.96 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.523 -1.217 . . . . 10.0 111.47 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -114.29 154.75 27.43 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 128.166 3.416 . . . . 10.0 109.48 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.6 ttm -78.84 152.64 31.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 111.422 -2.626 . . . . 10.0 114.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt -130.28 -48.55 1.09 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 113.954 -1.476 . . . . 10.0 113.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.8 m -148.5 166.47 28.11 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 125.459 1.724 . . . . 10.0 113.367 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -116.11 -165.9 1.09 Allowed 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 109.794 -3.366 . . . . 10.0 107.812 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -162.3 -54.84 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 128.511 3.632 . . . . 10.0 112.949 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -141.32 25.24 2.07 Favored 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.387 2.929 . . . . 10.0 109.861 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.485 ' CE2' HD13 ' A' ' 20' ' ' LEU . 73.6 t80 -71.87 -25.48 61.96 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 112.882 -1.963 . . . . 10.0 112.585 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.04 -34.09 61.82 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.322 1.534 . . . . 10.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.39 -30.18 61.85 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 112.566 -2.106 . . . . 10.0 112.875 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.512 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 2.1 t80 -70.14 -28.33 65.27 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 109.7 -3.409 . . . . 10.0 114.104 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 16' ' ' PHE . 41.5 mt -66.2 -21.5 66.31 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 126.316 2.96 . . . . 10.0 114.059 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -71.32 -42.52 68.51 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.42 -2.173 . . . . 10.0 113.452 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -23.91 46.4 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-O 125.521 2.582 . . . . 10.0 115.415 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.512 HD12 ' CZ ' ' A' ' 19' ' ' TYR . 56.5 mt -101.76 -1.47 32.35 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.272 -2.24 . . . . 10.0 112.058 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.16 21.98 11.09 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.882 -1.963 . . . . 10.0 111.534 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 t -59.2 124.66 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 126.93 2.644 . . . . 10.0 107.503 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.86 140.94 0.1 Allowed 'General case' 0 C--O 1.221 -0.402 0 O-C-N 126.691 2.494 . . . . 10.0 112.261 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.23 -23.82 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.203 0 N-CA-C 115.134 1.531 . . . . 10.0 115.134 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.36 29.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 110.493 -3.049 . . . . 10.0 111.533 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -33.99 77.1 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 111.866 -2.425 . . . . 10.0 114.026 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -74.96 -27.41 60.16 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 112.603 -2.09 . . . . 10.0 109.635 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -37.87 67.53 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 126.103 2.858 . . . . 10.0 110.185 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -75.55 -29.12 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 111.37 -2.65 . . . . 10.0 109.931 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.2 -22.46 65.94 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 126.953 2.658 . . . . 10.0 113.956 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.13 -34.13 74.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 112.749 -2.023 . . . . 10.0 113.923 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.14 28.37 8.82 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 123.701 1.715 . . . . 10.0 111.231 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.6 109.5 15.76 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 109.855 -3.338 . . . . 10.0 109.843 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -140.39 85.35 13.47 Favored Pre-proline 0 CA--C 1.501 -0.923 0 CA-C-N 111.206 -2.725 . . . . 10.0 110.002 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -85.0 167.43 10.98 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 123.843 3.029 . . . . 10.0 109.064 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.85 143.27 45.39 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 110.094 -3.23 . . . . 10.0 108.78 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -101.92 145.31 29.42 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.513 1.149 . . . . 10.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -132.27 85.64 2.26 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 114.003 -1.453 . . . . 10.0 108.95 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.1 mt -82.83 137.28 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 CA-C-N 110.857 -2.883 . . . . 10.0 114.633 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -135.15 101.58 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 125.034 2.35 . . . . 10.0 109.684 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -92.87 136.64 33.07 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 112.009 -2.36 . . . . 10.0 110.133 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -144.35 46.76 1.4 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.636 -1.62 . . . . 10.0 114.053 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 131.31 -128.66 5.46 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-O 125.445 2.692 . . . . 10.0 112.239 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -19.07 54.39 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 112.881 -1.66 . . . . 10.0 111.248 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.431 ' CD2' ' CG ' ' A' ' 65' ' ' GLN . 17.6 m170 -101.63 165.7 11.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 128.322 3.514 . . . . 10.0 111.784 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 ttm -165.35 104.57 0.74 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 113.358 -1.746 . . . . 10.0 111.397 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.51 116.76 28.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 128.642 3.714 . . . . 10.0 110.574 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 64' ' ' PHE . 4.2 mt -106.91 137.07 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 127.903 3.252 . . . . 10.0 109.573 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 10.1 ptt180 -148.09 128.74 14.17 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 117.839 -1.544 . . . . 10.0 113.397 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.2 m -94.23 132.21 39.03 Favored 'General case' 0 CA--C 1.509 -0.628 1 O-C-N 129.294 4.121 . . . . 10.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.67 116.82 26.04 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 112.12 -2.309 . . . . 10.0 113.971 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.26 140.86 18.91 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.183 -1.826 . . . . 10.0 109.779 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -18.77 64.37 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.319 2.887 . . . . 10.0 109.254 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.477 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 9.1 t80 -78.83 -33.24 46.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.513 0.673 . . . . 10.0 110.003 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -179.95 134.99 0.11 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 112.089 -2.323 . . . . 10.0 112.649 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -102.8 106.23 16.79 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.832 -2.44 . . . . 10.0 108.548 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -109.76 99.6 8.73 Favored 'General case' 0 CA--C 1.498 -1.032 0 O-C-N 126.782 2.551 . . . . 10.0 114.191 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.435 ' CG1' ' HB2' ' A' ' 52' ' ' ARG . 2.9 mt -105.37 144.33 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.788 0 CA-C-N 111.473 -2.603 . . . . 10.0 110.97 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.8 mtm -151.1 166.84 29.56 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 125.739 2.685 . . . . 10.0 111.574 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.36 116.87 27.1 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.848 -2.887 . . . . 10.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.412 ' HB2' HD11 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -99.46 139.2 35.46 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 124.198 1.952 . . . . 10.0 110.56 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' CG ' ' CD2' ' A' ' 48' ' ' HIS . 1.7 mp0 -134.03 114.92 13.72 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 111.666 -2.515 . . . . 10.0 108.656 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 93' ' ' LEU . 58.7 t -79.67 123.8 37.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 CA-C-O 123.549 1.643 . . . . 10.0 110.507 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.45 12.13 65.41 Favored Glycine 0 C--O 1.21 -1.373 0 CA-C-N 112.389 -2.187 . . . . 10.0 110.309 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -120.98 145.76 47.4 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 123.622 1.677 . . . . 10.0 111.262 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.42 125.42 53.85 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.944 -1.48 . . . . 10.0 110.186 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.507 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 8.1 p90 -160.56 169.44 22.94 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.262 0.976 . . . . 10.0 111.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.35 143.14 55.26 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 112.34 -2.209 . . . . 10.0 111.411 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -123.1 78.8 1.6 Allowed 'General case' 0 C--O 1.213 -0.821 0 O-C-N 127.254 2.846 . . . . 10.0 109.563 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.18 96.65 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 109.854 -3.339 . . . . 10.0 109.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -101.0 47.33 0.92 Allowed 'General case' 0 C--O 1.207 -1.183 0 CA-C-O 124.472 2.082 . . . . 10.0 108.132 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 m -83.41 0.51 45.78 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.95 1.77 33.65 Favored Glycine 0 C--O 1.208 -1.477 0 CA-C-O 123.13 1.405 . . . . 10.0 110.182 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.96 -74.08 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 113.042 -1.579 . . . . 10.0 113.322 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -137.16 28.14 2.84 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 117.074 -1.441 . . . . 10.0 111.671 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.6 p-10 28.97 70.26 0.07 Allowed 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 128.71 3.756 . . . . 10.0 112.185 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -130.53 36.79 3.9 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.836 -1.075 . . . . 10.0 113.093 -179.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 115.93 0.16 Allowed 'General case' 0 C--O 1.213 -0.866 0 O-C-N 128.915 3.885 . . . . 10.0 112.433 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 80' ' ' ARG . 1.6 m -148.42 -172.99 4.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 127.152 2.782 . . . . 10.0 111.826 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.4 mtm -88.92 141.04 28.83 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.749 1.388 . . . . 10.0 114.749 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.3 m -141.18 127.24 19.48 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.319 -2.673 . . . . 10.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -122.61 139.7 53.63 Favored 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 127.004 2.69 . . . . 10.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 64' ' ' PHE . 87.4 t -111.89 146.07 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 113.793 -1.549 . . . . 10.0 112.434 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 t -123.4 160.82 25.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 112.842 -1.981 . . . . 10.0 109.791 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -120.61 77.18 1.25 Allowed 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 123.676 1.703 . . . . 10.0 109.201 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -33.78 76.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 112.471 -2.15 . . . . 10.0 114.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.89 126.73 2.64 Favored Glycine 0 C--O 1.213 -1.169 0 CA-C-N 111.608 -2.542 . . . . 10.0 110.308 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.22 -86.41 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 O-C-N 126.046 1.674 . . . . 10.0 107.668 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.49 129.03 40.0 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 125.901 2.001 . . . . 10.0 111.255 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.422 HD13 ' CG2' ' A' ' 66' ' ' VAL . 2.4 tp -95.64 105.46 17.45 Favored 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 124.248 0.968 . . . . 10.0 109.482 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.54 143.66 40.57 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 123.383 1.563 . . . . 10.0 109.293 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 140.08 48.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 111.004 -2.816 . . . . 10.0 110.503 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.76 146.25 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.064 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.83 157.86 36.5 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.208 -2.269 . . . . 10.0 108.747 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -111.63 -71.47 0.76 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 125.151 1.532 . . . . 10.0 109.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.31 -144.44 19.65 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 119.405 -1.379 . . . . 10.0 111.899 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.58 16.27 4.4 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 128.264 2.979 . . . . 10.0 111.2 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HB2' ' HG3' ' A' ' 104' ' ' ARG . 3.1 mmtp -108.99 161.3 15.29 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-N 114.865 -1.061 . . . . 10.0 113.121 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -84.36 84.11 7.75 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.774 2.546 . . . . 10.0 114.279 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.02 -109.16 0.72 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-N 112.563 -2.108 . . . . 10.0 112.802 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 4.5 mtp180 48.43 92.24 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.702 0 O-C-N 127.089 2.288 . . . . 10.0 112.496 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.2 90.43 0.09 OUTLIER Glycine 0 C--O 1.213 -1.183 0 O-C-N 127.245 2.841 . . . . 10.0 113.022 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -64.85 167.49 7.51 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 111.811 -2.194 . . . . 10.0 114.105 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 60.6 m -158.78 122.14 3.81 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 128.732 3.77 . . . . 10.0 108.39 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.55 141.09 47.58 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.209 2.193 . . . . 10.0 111.699 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -162.23 109.28 1.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 124.447 2.07 . . . . 10.0 110.353 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.93 138.1 22.74 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 112.643 -2.071 . . . . 10.0 111.838 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 63.24 1.34 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 125.528 1.767 . . . . 10.0 110.654 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.59 -132.28 11.2 Favored Glycine 0 C--O 1.219 -0.811 0 O-C-N 125.511 1.757 . . . . 10.0 111.75 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -78.54 -9.37 59.31 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 126.699 2.058 . . . . 10.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.28 132.13 55.86 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 125.122 1.514 . . . . 10.0 111.549 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.409 HD11 ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -89.37 149.55 22.95 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 113.872 -1.513 . . . . 10.0 111.019 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.51 137.49 30.26 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 127.207 2.817 . . . . 10.0 112.588 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -145.11 147.64 32.75 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 112.511 -2.131 . . . . 10.0 111.395 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -108.82 77.33 1.07 Allowed 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 125.137 2.399 . . . . 10.0 111.481 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 18.8 mtm -68.52 146.9 52.71 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 111.904 -2.407 . . . . 10.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -144.79 155.67 43.63 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 111.401 -2.636 . . . . 10.0 112.201 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -179.13 122.24 0.08 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 123.055 1.407 . . . . 10.0 114.495 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 59.34 25.64 14.35 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 113.002 -1.908 . . . . 10.0 112.19 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.96 80.8 Favored Glycine 0 N--CA 1.474 1.187 0 CA-C-N 114.732 -1.122 . . . . 10.0 113.658 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.4 t -95.43 126.91 47.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 CA-C-O 124.237 1.97 . . . . 10.0 109.691 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 36.9 m -110.21 144.2 39.23 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 124.961 2.315 . . . . 10.0 109.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 133.74 22.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 109.608 -3.451 . . . . 10.0 110.634 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -109.17 86.65 2.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 126.765 2.54 . . . . 10.0 113.768 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 145.45 55.73 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 128.199 3.437 . . . . 10.0 108.811 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.4 t -123.12 129.05 75.23 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.914 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.258 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -127.44 172.15 10.93 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 124.876 1.36 . . . . 10.0 109.284 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -149.08 130.25 14.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 124.725 2.202 . . . . 10.0 113.26 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.445 ' HG3' ' CZ3' ' A' ' 8' ' ' TRP . 55.6 tttt -68.63 116.0 8.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.314 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.38 -35.12 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-N 111.726 -2.488 . . . . 10.0 109.476 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 CA--C 1.513 -0.48 0 O-C-N 127.422 2.951 . . . . 10.0 113.625 179.716 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 CA--C 1.499 -0.993 0 N-CA-C 113.486 0.921 . . . . 10.0 113.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -77.12 -22.28 52.92 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.263 1.982 . . . . 10.0 111.81 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.77 138.77 41.44 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 110.712 -2.949 . . . . 10.0 108.454 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.78 -176.96 18.96 Favored Glycine 0 C--O 1.217 -0.947 0 O-C-N 126.492 2.37 . . . . 10.0 108.942 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -113.55 126.21 55.05 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 119.018 -1.073 . . . . 10.0 113.195 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.549 ' CZ2' ' CG1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -105.46 140.46 38.53 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 127.118 2.761 . . . . 10.0 110.008 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -136.62 134.88 37.83 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 125.503 2.573 . . . . 10.0 109.286 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mmm -61.27 152.07 30.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 110.329 -3.123 . . . . 10.0 114.584 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 86.0 mt -120.72 -52.76 2.11 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 126.488 2.368 . . . . 10.0 108.957 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -165.93 161.88 17.84 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 128.687 3.742 . . . . 10.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.96 -178.71 3.73 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 112.531 -2.122 . . . . 10.0 107.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -146.23 -57.18 0.29 Allowed 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 113.875 -1.511 . . . . 10.0 110.445 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -130.69 32.17 4.42 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 126.472 2.358 . . . . 10.0 111.203 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 33' ' ' ALA . 15.3 t80 -72.91 -27.86 62.12 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-O 122.855 1.312 . . . . 10.0 109.389 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.13 -50.62 18.62 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 113.29 -1.777 . . . . 10.0 112.822 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.6 -25.25 62.96 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.668 -2.06 . . . . 10.0 112.16 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -67.64 -22.77 65.31 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 111.624 -2.535 . . . . 10.0 112.911 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.7 mt -77.99 -26.49 48.67 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 123.809 1.766 . . . . 10.0 109.757 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -70.63 -26.77 63.63 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.301 -1.772 . . . . 10.0 112.773 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.56 78.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 111.186 -2.733 . . . . 10.0 112.258 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.9 mt -92.19 8.7 36.86 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 112.944 -1.935 . . . . 10.0 112.689 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.15 34.91 18.75 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 112.709 -2.041 . . . . 10.0 113.068 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.427 HG12 HD22 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -76.5 138.88 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 CA-C-N 114.534 -1.212 . . . . 10.0 111.816 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -48.61 157.28 0.38 Allowed 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 111.919 -2.401 . . . . 10.0 111.564 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.8 m -73.4 -21.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 110.831 -2.895 . . . . 10.0 111.811 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.62 76.02 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.379 2.924 . . . . 10.0 113.417 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.427 HD22 HG12 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -73.84 -25.42 60.06 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.91 -2.859 . . . . 10.0 111.556 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -71.1 -32.2 68.73 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 124.816 1.322 . . . . 10.0 111.094 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -45.62 64.44 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 128.756 3.785 . . . . 10.0 112.768 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.49 -24.15 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 110.053 -3.249 . . . . 10.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . . . -65.77 -26.69 67.83 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 126.347 2.279 . . . . 10.0 114.17 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -74.62 -32.29 62.26 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 128.001 3.313 . . . . 10.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.35 12.0 28.52 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.101 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.56 109.26 19.99 Favored 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 117.701 -1.6 . . . . 10.0 113.199 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -138.85 82.4 20.64 Favored Pre-proline 0 C--O 1.211 -0.926 0 CA-C-N 113.279 -1.782 . . . . 10.0 111.262 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -85.35 174.53 6.93 Favored 'Trans proline' 0 CA--C 1.511 -0.641 0 O-C-N 126.875 3.04 . . . . 10.0 109.132 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.61 108.37 8.53 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 124.144 1.926 . . . . 10.0 110.235 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 1.1 mtpt -62.73 143.26 57.62 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.282 -2.236 . . . . 10.0 113.79 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -130.32 111.94 12.84 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 113.044 -1.889 . . . . 10.0 108.564 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.549 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 2.9 mm -91.36 142.55 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 112.466 -2.152 . . . . 10.0 112.935 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.37 63.04 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.175 -1.375 . . . . 10.0 109.418 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -66.7 146.95 53.9 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 126.706 2.504 . . . . 10.0 114.254 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 3.3 m-20 -144.25 81.83 1.68 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 110.199 -3.182 . . . . 10.0 110.347 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.12 -115.81 8.17 Favored Glycine 0 N--CA 1.472 1.092 0 O-C-N 128.483 3.614 . . . . 10.0 113.432 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -64.9 -49.22 71.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 111.252 -2.474 . . . . 10.0 112.219 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -84.03 131.0 34.86 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 127.817 3.198 . . . . 10.0 110.295 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.85 115.11 16.76 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 126.912 2.632 . . . . 10.0 111.804 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.11 139.19 19.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -117.89 124.97 73.83 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 O-C-N 125.0 1.438 . . . . 10.0 110.237 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -112.85 119.16 37.05 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -105.17 104.81 14.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 107.869 -1.159 . . . . 10.0 107.869 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -103.36 99.15 8.98 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 115.335 1.605 . . . . 10.0 115.335 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.4 p -132.25 165.4 24.23 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 127.838 3.212 . . . . 10.0 107.652 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -94.69 3.62 54.83 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.141 -1.39 . . . . 10.0 112.168 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.71 -45.38 5.78 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 109.963 -3.289 . . . . 10.0 112.763 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -168.51 105.07 0.44 Allowed 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 127.202 2.814 . . . . 10.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -72.39 126.68 30.43 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.485 2.991 . . . . 10.0 109.131 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.87 141.47 51.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 113.38 -1.736 . . . . 10.0 109.883 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mp -130.21 124.66 58.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 126.358 2.98 . . . . 10.0 108.968 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 37.9 mtt -124.91 149.97 47.03 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 112.522 -2.126 . . . . 10.0 110.589 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -122.45 82.29 1.95 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 124.631 2.158 . . . . 10.0 108.365 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.493 ' CD2' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -80.55 118.76 22.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 111.833 -2.439 . . . . 10.0 114.34 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -103.36 135.85 44.21 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 112.608 -2.087 . . . . 10.0 108.658 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.74 117.04 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.027 0 CA-C-N 112.95 -1.932 . . . . 10.0 113.617 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.58 -21.74 44.49 Favored Glycine 0 C--O 1.211 -1.303 0 CA-C-N 113.311 -1.768 . . . . 10.0 111.969 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 141.73 46.57 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 113.612 -1.294 . . . . 10.0 112.856 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 144.1 48.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 111.257 -2.701 . . . . 10.0 112.482 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -155.01 159.25 40.19 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 125.928 2.775 . . . . 10.0 109.082 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 148.75 33.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.196 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -132.49 110.09 10.26 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 110.603 -2.999 . . . . 10.0 108.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -100.31 112.05 24.36 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 126.58 2.425 . . . . 10.0 109.811 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.13 48.37 0.84 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 109.04 -3.709 . . . . 10.0 108.072 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.24 18.77 13.02 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 124.444 2.068 . . . . 10.0 114.476 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.83 24.99 2.27 Favored Glycine 0 C--O 1.217 -0.932 0 CA-C-N 111.726 -2.488 . . . . 10.0 108.922 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.8 -63.43 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 CA-C-O 125.003 2.335 . . . . 10.0 109.473 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -153.89 22.99 0.51 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 109.655 -3.429 . . . . 10.0 114.563 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 39.88 90.7 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 123.878 1.799 . . . . 10.0 114.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.75 -61.69 0.99 Allowed 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt 67.19 103.96 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 124.589 2.138 . . . . 10.0 112.963 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.57 -173.13 3.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.511 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.6 mtp -113.31 149.32 34.11 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.186 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.4 m -146.34 143.0 28.81 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 127.229 2.831 . . . . 10.0 114.139 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.05 142.97 51.16 Favored 'General case' 0 C--O 1.217 -0.629 1 O-C-N 129.199 4.062 . . . . 10.0 108.544 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' A' ' 64' ' ' PHE . 85.6 t -127.76 135.49 62.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 O-C-N 126.03 2.081 . . . . 10.0 112.299 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 t -137.51 127.87 26.42 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 110.753 -2.931 . . . . 10.0 107.989 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -87.52 18.77 3.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 116.994 -1.479 . . . . 10.0 114.689 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 t70 30.97 44.12 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.764 3.165 . . . . 10.0 114.047 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 40.18 31.69 0.35 Allowed Glycine 0 C--N 1.347 1.184 0 CA-C-N 112.155 -2.293 . . . . 10.0 114.027 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t0 153.38 121.78 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.632 0 O-C-N 128.333 3.02 . . . . 10.0 108.265 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.03 115.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 126.1 2.125 . . . . 10.0 107.88 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -65.76 120.91 13.85 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.367 -1.742 . . . . 10.0 111.123 179.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.31 108.88 13.24 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 125.336 2.493 . . . . 10.0 113.216 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.8 t -102.47 127.86 49.33 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.906 -1.952 . . . . 10.0 113.63 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.55 147.07 33.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 127.092 2.745 . . . . 10.0 109.141 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -116.74 151.01 37.3 Favored 'General case' 0 CA--C 1.495 -1.138 1 O-C-N 129.589 4.305 . . . . 10.0 109.199 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -92.83 -10.16 37.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.205 -1.362 . . . . 10.0 112.816 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' LYS . . . -42.76 110.92 0.3 Allowed Glycine 0 C--O 1.209 -1.44 0 O-C-N 126.992 2.682 . . . . 10.0 109.513 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -56.2 85.28 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 124.95 2.31 . . . . 10.0 113.204 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -156.38 -164.52 1.69 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.636 -2.529 . . . . 10.0 107.91 -179.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -125.86 91.06 3.31 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.693 2.496 . . . . 10.0 110.646 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.06 -45.41 1.0 Allowed Glycine 0 N--CA 1.462 0.429 0 C-N-CA 119.412 -1.375 . . . . 10.0 114.079 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -31.2 94.19 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 127.699 3.619 . . . . 10.0 115.439 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.5 149.38 5.93 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 110.31 -3.132 . . . . 10.0 112.578 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.49 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 2.7 m0 -126.21 145.71 50.27 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 123.903 1.811 . . . . 10.0 114.036 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.1 m -126.6 134.2 50.86 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 111.733 -2.485 . . . . 10.0 109.578 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.23 132.83 41.93 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 125.336 1.648 . . . . 10.0 115.357 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.41 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 2.0 p90 -138.5 142.59 39.35 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 128.205 3.441 . . . . 10.0 107.887 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.8 mt -113.71 151.5 15.54 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-O 125.564 2.602 . . . . 10.0 114.047 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -136.86 -179.18 5.54 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 108.928 -3.76 . . . . 10.0 108.76 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.67 84.11 0.01 OUTLIER Glycine 0 C--O 1.213 -1.175 0 O-C-N 128.246 3.466 . . . . 10.0 113.521 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.19 74.02 0.45 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 126.417 1.892 . . . . 10.0 109.572 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 173.18 136.64 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 110.717 -2.947 . . . . 10.0 108.406 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 8' ' ' TRP . 1.7 tt -117.03 100.69 7.92 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 111.48 -2.6 . . . . 10.0 108.282 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 143.81 32.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 113.241 -1.799 . . . . 10.0 109.028 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 119' ' ' MET . 4.5 pp -150.38 173.27 14.2 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 114.812 -1.085 . . . . 10.0 109.206 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -135.7 92.58 2.84 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 128.159 3.412 . . . . 10.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.49 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 32.4 mtt -83.32 140.95 32.15 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 113.939 -1.482 . . . . 10.0 108.442 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -141.77 139.49 32.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 129.006 3.941 . . . . 10.0 110.784 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -171.39 117.37 0.43 Allowed 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.07 -1.877 . . . . 10.0 111.993 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 70.37 23.61 4.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.891 -1.049 . . . . 10.0 113.603 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.8 11.1 55.76 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 113.297 -1.774 . . . . 10.0 114.586 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 125' ' ' THR . 47.0 t -96.25 162.06 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.129 0 C-N-CA 118.292 -1.363 . . . . 10.0 109.855 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.432 ' N ' ' CG1' ' A' ' 124' ' ' VAL . 1.7 m -141.27 86.74 2.04 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 112.812 -1.994 . . . . 10.0 107.865 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 13.4 t -101.45 104.74 15.69 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 125.901 2.001 . . . . 10.0 113.137 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -104.37 86.07 2.46 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.807 2.567 . . . . 10.0 111.959 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.84 137.71 40.65 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 125.115 2.388 . . . . 10.0 114.047 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 22.5 t -91.76 92.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 109.849 -3.341 . . . . 10.0 115.186 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.481 ' CZ ' ' HD3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.85 143.79 26.77 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 128.36 3.538 . . . . 10.0 109.821 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 11.2 tptm -125.18 124.05 40.93 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 124.312 2.006 . . . . 10.0 112.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -68.22 109.8 3.74 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 111.522 -2.581 . . . . 10.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.2 -55.12 18.18 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 CA-C-N 112.613 -2.085 . . . . 10.0 107.881 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.259 1.578 0 O-C-N 128.575 3.672 . . . . 10.0 113.026 179.674 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 C--O 1.214 -0.764 0 CA-C-O 121.369 0.604 . . . . 10.0 111.212 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 93' ' ' LEU . 1.1 m-85 -65.36 -33.54 76.2 Favored 'General case' 0 CA--C 1.499 -0.993 0 O-C-N 127.116 2.76 . . . . 10.0 112.839 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.36 104.71 1.0 Allowed 'General case' 0 C--O 1.209 -1.072 0 CA-C-N 112.775 -2.012 . . . . 10.0 111.38 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.7 179.1 48.76 Favored Glycine 0 C--N 1.348 1.226 0 C-N-CA 117.15 -2.452 . . . . 10.0 114.41 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -104.57 104.04 13.8 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 125.373 1.278 . . . . 10.0 109.768 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.487 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 11.2 m95 -107.64 108.3 19.49 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 118.681 -1.208 . . . . 10.0 109.46 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -98.04 144.15 27.84 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 126.939 2.649 . . . . 10.0 109.709 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.69 163.56 0.3 Allowed 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 126.206 2.908 . . . . 10.0 112.292 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.35 -58.11 0.64 Allowed 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 110.503 -3.044 . . . . 10.0 108.415 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -152.0 -176.93 5.86 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 110.079 -3.237 . . . . 10.0 108.428 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 1.8 p-10 -175.44 93.35 0.06 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.227 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -83.51 149.35 26.67 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 111.887 -2.415 . . . . 10.0 111.844 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 53.0 20.34 1.65 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 111.859 -2.428 . . . . 10.0 114.204 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -74.33 -23.01 58.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.162 1.458 . . . . 10.0 112.553 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 46.0 mt-10 -75.12 -38.73 60.99 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 114.147 -1.388 . . . . 10.0 111.418 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.31 -24.77 62.2 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 113.047 -1.888 . . . . 10.0 113.697 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.67 -31.32 66.67 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 124.453 2.073 . . . . 10.0 111.57 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 33' ' ' ALA . 18.5 mt -71.66 -32.74 68.23 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.588 -2.096 . . . . 10.0 113.034 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -77.25 -24.17 51.19 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 110.698 -2.955 . . . . 10.0 112.711 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.34 66.66 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.927 -1.942 . . . . 10.0 112.781 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mt -106.94 15.67 25.12 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 112.091 -2.322 . . . . 10.0 111.224 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 42.3 40.34 1.76 Allowed 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 124.893 2.282 . . . . 10.0 113.666 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 26' ' ' ASN . 6.2 t -57.72 -74.74 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-N 111.11 -2.768 . . . . 10.0 112.857 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.41 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER 172.16 150.52 0.06 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.153 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -68.92 -31.15 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 114.412 1.264 . . . . 10.0 114.412 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.63 -43.26 76.73 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 111.255 -2.702 . . . . 10.0 115.03 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -27.26 64.64 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 125.851 2.739 . . . . 10.0 111.826 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HD3' ' HB3' ' A' ' 17' ' ' GLU . 3.1 tmm_? -72.72 -30.91 64.59 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 111.468 -2.606 . . . . 10.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -79.89 -29.16 39.87 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.44 3.588 . . . . 10.0 109.531 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.452 HG21 ' CE2' ' A' ' 57' ' ' PHE . 5.9 mt -79.72 -28.88 12.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 127.087 2.742 . . . . 10.0 111.456 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 20' ' ' LEU . . . -75.62 -20.96 58.17 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.376 2.036 . . . . 10.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.59 -33.85 69.38 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 111.22 -2.718 . . . . 10.0 113.711 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.41 2.16 48.67 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 110.843 -2.889 . . . . 10.0 113.92 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.79 143.51 50.93 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 112.946 -1.933 . . . . 10.0 113.574 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -151.52 80.07 6.42 Favored Pre-proline 0 CA--C 1.495 -1.16 0 O-C-N 126.641 2.463 . . . . 10.0 112.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -44.04 148.07 1.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 O-C-N 124.89 1.995 . . . . 10.0 114.463 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -108.99 112.08 24.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.839 -2.437 . . . . 10.0 107.589 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.16 143.66 41.03 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 127.552 3.032 . . . . 10.0 114.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.69 84.67 2.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 124.922 2.296 . . . . 10.0 112.232 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.44 143.52 12.75 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 110.573 -3.012 . . . . 10.0 109.303 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.21 111.4 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-N 109.792 -3.367 . . . . 10.0 113.055 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.7 130.41 34.7 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 123.515 1.626 . . . . 10.0 111.42 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -147.36 67.12 1.13 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 113.012 -1.904 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.44 -116.04 4.13 Favored Glycine 0 C--O 1.209 -1.429 0 CA-C-N 111.781 -2.463 . . . . 10.0 114.332 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.6 29.16 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.604 -2.298 . . . . 10.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -74.39 165.02 25.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.326 1.536 . . . . 10.0 109.437 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 ttp -155.41 84.12 1.05 Allowed 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 111.23 -2.714 . . . . 10.0 109.118 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 51' ' ' ILE . 69.7 mt -75.22 133.03 32.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.274 -0.875 . . . . 10.0 112.816 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.415 ' N ' HG23 ' A' ' 50' ' ' ILE . 12.1 mt -114.27 133.95 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 O-C-N 128.735 3.772 . . . . 10.0 110.648 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -117.51 138.61 51.77 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 127.512 3.007 . . . . 10.0 109.424 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -135.69 98.97 4.06 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 109.771 -3.377 . . . . 10.0 108.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.12 108.4 20.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 108.925 -3.761 . . . . 10.0 115.444 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -147.04 107.69 4.12 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 112.822 -1.99 . . . . 10.0 108.794 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -33.24 -35.91 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 O-C-N 127.978 3.298 . . . . 10.0 114.177 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -66.8 -55.32 15.42 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 112.797 -2.001 . . . . 10.0 113.263 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -157.64 112.53 2.7 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.834 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 171.32 14.33 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 111.867 -2.424 . . . . 10.0 108.882 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -163.27 89.97 0.64 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 112.165 -2.289 . . . . 10.0 113.324 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.9 mp -109.82 128.82 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 123.943 1.83 . . . . 10.0 113.946 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 mmt -149.86 169.43 21.14 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 111.885 -2.416 . . . . 10.0 109.572 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -115.44 135.17 54.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 110.082 -3.235 . . . . 10.0 108.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.12 113.48 17.78 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 114.387 -1.279 . . . . 10.0 114.051 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -83.27 98.26 9.32 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 127.106 2.754 . . . . 10.0 108.239 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.26 110.69 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.403 -1.726 . . . . 10.0 113.871 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.67 -4.99 21.01 Favored Glycine 0 C--O 1.208 -1.518 0 O-C-N 127.31 2.881 . . . . 10.0 114.442 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.34 166.96 11.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 113.561 -1.32 . . . . 10.0 113.174 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.11 156.17 19.82 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 110.582 -3.008 . . . . 10.0 112.295 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -133.76 -178.95 5.25 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 112.697 -2.047 . . . . 10.0 114.048 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -140.88 61.86 1.49 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 126.626 2.454 . . . . 10.0 109.144 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.98 144.47 14.89 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 110.643 -2.98 . . . . 10.0 113.484 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.9 115.75 12.23 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 111.316 -2.675 . . . . 10.0 109.729 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 79' ' ' ASP . 5.1 mp -120.61 52.02 1.19 Allowed 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 111.581 -2.554 . . . . 10.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -77.75 -4.36 45.94 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 122.871 1.32 . . . . 10.0 113.514 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -103.03 -5.39 47.08 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-N 113.563 -1.653 . . . . 10.0 111.552 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.31 -74.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 CA-C-N 112.956 -1.622 . . . . 10.0 110.299 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -143.77 20.49 1.82 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.252 -0.885 . . . . 10.0 113.015 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 54.5 t0 36.31 76.9 0.05 OUTLIER 'General case' 0 C--O 1.209 -1.078 0 O-C-N 127.053 2.721 . . . . 10.0 113.364 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -82.31 -67.26 0.8 Allowed 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 110.416 -3.083 . . . . 10.0 113.109 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt 71.69 85.22 0.13 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 128.558 3.661 . . . . 10.0 111.561 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 93.3 m -131.46 178.44 6.73 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.195 -1.366 . . . . 10.0 112.8 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' LYS . 1.8 mtm -105.88 133.94 49.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.558 -2.11 . . . . 10.0 108.926 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 m -115.91 143.38 45.51 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 124.321 2.01 . . . . 10.0 114.049 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.9 m -150.49 115.8 5.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 112.534 -2.121 . . . . 10.0 107.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 87' ' ' SER . 38.4 t -108.17 145.16 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 O-C-N 127.312 2.883 . . . . 10.0 109.195 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.428 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.4 m -158.83 154.85 26.78 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.262 -2.699 . . . . 10.0 111.127 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -99.61 151.21 21.45 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 112.431 -2.168 . . . . 10.0 111.64 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -101.33 -59.62 1.67 Allowed 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 112.311 -2.222 . . . . 10.0 111.768 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.89 110.26 0.27 Allowed Glycine 0 C--N 1.345 1.029 0 O-C-N 126.799 2.562 . . . . 10.0 111.559 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.96 18.22 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 128.003 2.825 . . . . 10.0 113.367 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 143.04 1.18 Allowed 'General case' 0 C--O 1.209 -1.054 0 CA-C-N 111.183 -2.735 . . . . 10.0 113.13 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 4' ' ' PHE . 25.9 tp -100.62 120.46 40.09 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 127.09 2.744 . . . . 10.0 111.677 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -109.66 152.06 26.07 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.699 2.499 . . . . 10.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.5 m -138.98 148.2 43.17 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 114.132 -1.394 . . . . 10.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.42 121.09 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 110.33 -3.123 . . . . 10.0 112.288 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -104.75 79.86 1.58 Allowed 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 127.639 3.087 . . . . 10.0 113.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' MET . 1.5 tttt -41.51 94.79 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 125.543 2.592 . . . . 10.0 113.845 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.63 -152.65 8.5 Favored Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 109.522 -3.49 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.47 46.11 1.61 Allowed 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 126.912 2.184 . . . . 10.0 111.54 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -124.71 -89.34 0.58 Allowed 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 111.525 -2.58 . . . . 10.0 114.59 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER 171.53 136.26 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.24 0.34 Allowed Glycine 0 C--O 1.212 -1.256 0 O-C-N 128.25 3.469 . . . . 10.0 110.683 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.85 62.11 6.77 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 125.062 2.363 . . . . 10.0 112.991 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.52 158.56 27.73 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 113.558 -1.656 . . . . 10.0 109.688 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -108.6 153.67 23.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 123.523 1.63 . . . . 10.0 115.034 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -135.3 116.47 14.4 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 111.874 -2.421 . . . . 10.0 107.786 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -114.99 160.79 19.16 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 123.946 1.831 . . . . 10.0 114.883 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -157.54 94.74 1.39 Allowed 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 110.023 -3.262 . . . . 10.0 108.918 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 111' ' ' GLU . 3.0 mt -72.45 147.43 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-N 110.474 -3.057 . . . . 10.0 109.838 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.411 ' N ' HG21 ' A' ' 110' ' ' ILE . 4.1 mt-10 -120.9 -176.9 3.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 109.866 -3.333 . . . . 10.0 109.686 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.05 -60.62 4.93 Favored Glycine 0 C--O 1.221 -0.662 0 O-C-N 127.045 2.716 . . . . 10.0 112.217 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -138.99 61.07 1.58 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 177.12 146.04 0.1 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.036 -0.983 . . . . 10.0 109.748 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.431 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -105.65 110.38 22.67 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.859 1.349 . . . . 10.0 110.218 -179.848 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -99.08 103.39 15.3 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 125.641 2.638 . . . . 10.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 118' ' ' GLU . 1.7 tp -116.98 128.19 54.94 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 111.059 -2.791 . . . . 10.0 109.617 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.412 ' N ' HD13 ' A' ' 117' ' ' LEU . 1.6 mt-10 -118.91 73.18 0.91 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 124.482 2.087 . . . . 10.0 110.262 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.426 ' HG3' ' N ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -58.43 158.15 7.86 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 109.606 -3.452 . . . . 10.0 112.33 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 119' ' ' MET . 4.2 mtm180 -144.75 146.42 32.15 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.448 -1.251 . . . . 10.0 108.586 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.78 118.44 2.43 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 123.893 1.806 . . . . 10.0 113.165 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.04 19.93 1.14 Allowed 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 114.372 1.249 . . . . 10.0 114.372 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.82 -14.64 24.23 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 118.982 -0.899 . . . . 10.0 113.59 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.95 146.71 5.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 125.984 1.637 . . . . 10.0 109.076 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 45.1 m -116.91 118.82 33.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.343 1.544 . . . . 10.0 112.97 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.3 132.52 47.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 112.936 -1.938 . . . . 10.0 112.052 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 88.63 2.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 126.241 2.213 . . . . 10.0 113.784 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -78.75 115.82 18.7 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 109.509 -3.496 . . . . 10.0 108.269 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.42 156.14 5.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 112.287 -2.233 . . . . 10.0 113.705 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -144.54 156.66 44.26 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 109.688 -3.415 . . . . 10.0 108.864 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 132' ' ' LYS . 10.3 tptp -126.73 109.5 12.12 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 127.161 2.788 . . . . 10.0 113.021 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.409 ' HG3' ' CD2' ' A' ' 8' ' ' TRP . 6.6 tttt -55.1 104.62 0.13 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 111.942 -2.39 . . . . 10.0 111.429 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.52 -53.48 39.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 O-C-N 126.64 2.462 . . . . 10.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.985 1 O-C-N 130.763 5.039 . . . . 10.0 108.989 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.505 -0.753 0 CA-C-O 125.204 2.43 . . . . 10.0 113.22 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.401 ' HB2' ' HE2' ' A' ' 49' ' ' MET . 65.0 m-85 -78.68 -28.96 45.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 113.2 -1.818 . . . . 10.0 112.358 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -59.88 141.67 54.99 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 111.968 -2.378 . . . . 10.0 111.919 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.18 -145.65 15.43 Favored Glycine 0 C--O 1.209 -1.443 0 CA-C-N 112.563 -2.108 . . . . 10.0 108.933 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.24 140.39 52.57 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 124.722 2.201 . . . . 10.0 109.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.416 ' CE3' ' HB2' ' A' ' 132' ' ' LYS . 4.1 m95 -142.34 107.44 4.95 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.738 -2.028 . . . . 10.0 114.177 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -100.4 153.25 19.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 112.811 -1.995 . . . . 10.0 107.676 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.46 ' HG3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.94 159.76 0.38 Allowed 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.287 1.617 . . . . 10.0 111.508 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.19 -54.12 0.63 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 109.72 -3.4 . . . . 10.0 112.221 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -178.05 157.98 1.18 Allowed 'General case' 0 C--O 1.221 -0.44 0 O-C-N 128.168 3.417 . . . . 10.0 108.859 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.13 -177.42 4.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 126.443 2.339 . . . . 10.0 108.473 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -170.87 123.64 0.62 Allowed 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 126.403 2.314 . . . . 10.0 108.782 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.07 30.14 3.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 123.074 1.416 . . . . 10.0 108.816 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -71.95 -45.69 60.19 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 114.26 -1.336 . . . . 10.0 113.493 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.72 -25.16 61.12 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.138 -0.937 . . . . 10.0 112.781 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.04 -37.06 64.43 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.609 -2.541 . . . . 10.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CE2' ' HE1' ' A' ' 119' ' ' MET . 3.4 t80 -73.92 -27.19 60.91 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 110.714 -2.948 . . . . 10.0 111.112 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -77.3 -29.26 53.62 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 110.834 -2.894 . . . . 10.0 108.904 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -78.61 -22.75 46.54 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 112.836 -1.984 . . . . 10.0 108.91 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.9 -27.76 67.76 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.175 -1.829 . . . . 10.0 114.467 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.74 8.95 43.87 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.06 -0.973 . . . . 10.0 111.924 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.45 49.78 6.2 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 127.12 2.762 . . . . 10.0 108.538 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.69 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 111.251 -2.704 . . . . 10.0 113.45 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 172.83 155.9 0.1 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 114.817 -1.083 . . . . 10.0 109.023 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -76.25 -30.22 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 122.894 1.33 . . . . 10.0 110.43 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.72 71.02 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 111.88 -2.418 . . . . 10.0 114.406 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -21.89 49.33 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 117.398 -1.721 . . . . 10.0 113.728 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -72.47 -29.5 63.72 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 111.144 -2.753 . . . . 10.0 109.954 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -77.61 -42.64 34.29 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 112.572 -2.104 . . . . 10.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CG2' ' CE2' ' A' ' 57' ' ' PHE . 9.2 mt -74.84 -30.84 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-N 113.021 -1.9 . . . . 10.0 112.501 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.57 -20.53 64.79 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.385 -2.189 . . . . 10.0 113.679 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -24.99 60.03 Favored 'General case' 0 C--O 1.21 -0.987 0 CA-C-N 111.381 -2.645 . . . . 10.0 112.475 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 mt -100.66 7.77 43.74 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 128.483 3.614 . . . . 10.0 109.618 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 55' ' ' SER . 0.6 OUTLIER -105.22 116.49 32.03 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 114.625 -1.17 . . . . 10.0 111.009 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HB3' ' HG3' ' A' ' 10' ' ' MET . 12.2 mttp -145.92 62.7 8.56 Favored Pre-proline 0 CA--C 1.511 -0.541 0 O-C-N 127.38 2.925 . . . . 10.0 108.486 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 9.4 Cg_endo -61.05 175.18 1.45 Allowed 'Trans proline' 0 CA--C 1.493 -1.527 0 O-C-N 126.495 2.84 . . . . 10.0 114.905 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.75 165.53 14.42 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-N 111.344 -2.662 . . . . 10.0 109.238 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -136.86 149.85 47.93 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 114.765 -1.107 . . . . 10.0 112.169 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.12 91.98 2.61 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 111.57 -2.559 . . . . 10.0 112.32 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.73 145.47 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.992 0 CA-C-O 124.566 2.127 . . . . 10.0 108.88 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.1 97.48 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 CA-C-O 125.285 2.469 . . . . 10.0 110.081 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -76.52 120.76 22.18 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.497 -2.138 . . . . 10.0 111.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.66 86.2 1.73 Allowed 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 111.534 -2.575 . . . . 10.0 114.006 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.24 -129.91 9.73 Favored Glycine 0 C--N 1.335 0.498 0 CA-C-N 110.493 -3.048 . . . . 10.0 111.031 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.58 -17.93 55.38 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 113.143 -1.528 . . . . 10.0 111.602 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -86.36 161.96 18.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.701 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.401 ' HE2' ' HB2' ' A' ' 4' ' ' PHE . 34.4 ttm -168.46 77.29 0.13 Allowed 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 124.016 1.865 . . . . 10.0 111.074 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -69.48 136.12 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-N 113.593 -1.64 . . . . 10.0 113.238 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.61 123.64 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-N 111.68 -2.509 . . . . 10.0 109.458 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -111.66 113.05 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 113.416 -1.72 . . . . 10.0 112.64 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.9 m -102.69 118.64 37.29 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 122.721 1.248 . . . . 10.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.5 mt -118.57 98.5 6.27 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 113.55 -1.659 . . . . 10.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 49.5 p -112.72 -1.45 14.74 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 115.496 1.665 . . . . 10.0 115.496 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m 54.21 29.6 10.87 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.836 1.779 . . . . 10.0 109.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CE2' ' CG2' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -140.06 -60.4 0.53 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.653 1.692 . . . . 10.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -147.18 106.06 3.84 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 125.553 2.597 . . . . 10.0 111.986 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -77.75 107.9 10.58 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 112.039 -2.346 . . . . 10.0 113.744 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 124.85 40.91 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 112.657 -2.065 . . . . 10.0 109.098 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mm -120.8 112.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 CA-C-N 111.608 -2.542 . . . . 10.0 113.281 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.6 mtp -123.48 101.75 7.51 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 125.435 2.54 . . . . 10.0 110.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -39.43 94.24 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.602 -2.09 . . . . 10.0 109.74 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 62.57 167.58 0.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 O-C-N 127.106 2.754 . . . . 10.0 110.195 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 6.2 mt-30 -165.79 85.39 0.35 Allowed 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.769 1.293 . . . . 10.0 109.696 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.5 t -45.66 130.26 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 113.697 -1.592 . . . . 10.0 114.482 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 3.51 86.19 Favored Glycine 0 N--CA 1.473 1.106 0 O-C-N 126.225 2.203 . . . . 10.0 113.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 158.5 31.67 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.559 -0.321 . . . . 10.0 110.402 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -108.44 135.97 48.84 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 129.311 4.132 . . . . 10.0 114.435 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.52 145.33 18.85 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-O 126.577 3.085 . . . . 10.0 113.132 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -75.73 123.58 25.82 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 109.865 -3.334 . . . . 10.0 112.581 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -106.48 132.78 52.09 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 127.091 2.744 . . . . 10.0 110.938 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -108.43 115.6 30.41 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.088 -1.869 . . . . 10.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.76 58.46 1.65 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.949 1.833 . . . . 10.0 111.637 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.39 108.96 20.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 111.451 -2.613 . . . . 10.0 112.172 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.87 -18.86 5.89 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-N 111.643 -2.526 . . . . 10.0 108.414 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.18 -79.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 110.766 -2.717 . . . . 10.0 108.816 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.98 -10.43 14.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 126.895 2.622 . . . . 10.0 114.296 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.03 72.18 0.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 126.18 2.175 . . . . 10.0 112.949 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.07 139.88 0.29 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 110.779 -2.919 . . . . 10.0 111.464 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.8 174.56 5.83 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 126.752 2.532 . . . . 10.0 109.874 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.5 177.39 2.17 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 111.9 -2.409 . . . . 10.0 109.715 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.4 mtt -104.7 126.08 51.43 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 124.736 2.208 . . . . 10.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.0 m -120.88 142.29 49.81 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 110.513 -3.04 . . . . 10.0 112.731 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -135.67 145.12 46.43 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 127.712 3.132 . . . . 10.0 108.556 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.98 138.22 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 127.988 3.305 . . . . 10.0 108.398 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -129.53 176.67 7.79 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 127.359 2.912 . . . . 10.0 111.623 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.55 91.67 3.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.032 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -98.47 50.8 0.99 Allowed 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 126.946 2.654 . . . . 10.0 114.641 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.36 -131.22 7.58 Favored Glycine 0 C--O 1.221 -0.682 0 CA-C-N 113.13 -1.85 . . . . 10.0 113.042 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.34 -19.98 20.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 127.273 2.396 . . . . 10.0 109.065 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -91.32 177.73 6.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 128.23 3.456 . . . . 10.0 112.915 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.88 96.4 5.05 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 110.967 -2.833 . . . . 10.0 110.238 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -92.15 116.41 28.91 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 109.682 -3.417 . . . . 10.0 114.478 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 m -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.643 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.8 m -112.84 135.6 51.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 O-C-N 125.293 1.621 . . . . 10.0 114.808 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' HB3' ' HG2' ' A' ' 104' ' ' ARG . 33.9 mt-30 -117.18 93.55 4.22 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 127.221 2.825 . . . . 10.0 108.275 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -39.25 -50.5 1.97 Allowed 'General case' 0 C--O 1.217 -0.642 0 O-C-N 128.794 3.809 . . . . 10.0 112.379 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 31.26 -127.34 0.2 Allowed Glycine 0 C--O 1.217 -0.921 1 O-C-N 129.552 4.283 . . . . 10.0 112.086 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -168.64 36.91 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.445 -2.878 . . . . 10.0 110.132 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.424 ' HG3' ' NH1' ' A' ' 104' ' ' ARG . 17.6 mmtt -125.33 173.67 8.67 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 84.74 2.51 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 114.153 -1.385 . . . . 10.0 114.675 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.1 -94.43 0.65 Allowed Glycine 0 C--O 1.213 -1.197 0 N-CA-C 108.262 -1.935 . . . . 10.0 108.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 101' ' ' LYS . 3.7 ttm180 48.57 86.27 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 109.906 -3.147 . . . . 10.0 114.734 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.89 134.2 2.17 Favored Glycine 0 C--O 1.213 -1.168 0 CA-C-N 113.438 -1.71 . . . . 10.0 112.742 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -102.3 147.07 27.13 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -140.93 123.91 16.35 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 126.567 2.417 . . . . 10.0 109.576 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.72 146.85 38.02 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.253 2.221 . . . . 10.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.486 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -159.71 149.24 18.19 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.997 -2.82 . . . . 10.0 113.522 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 26.2 mt -106.38 149.1 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.176 0 CA-C-N 111.702 -2.499 . . . . 10.0 110.301 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -110.07 -97.72 0.4 Allowed 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 112.302 -2.226 . . . . 10.0 113.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.42 -82.62 1.68 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 107.84 -2.104 . . . . 10.0 107.84 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -132.04 28.9 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 126.315 1.833 . . . . 10.0 109.168 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -144.95 128.55 17.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 111.288 -2.687 . . . . 10.0 111.581 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.75 135.2 40.32 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.903 1.335 . . . . 10.0 112.087 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -124.54 107.79 11.42 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.834 -1.985 . . . . 10.0 111.409 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.4 tp -105.38 151.78 23.77 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.57 113.17 15.76 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 112.157 -2.292 . . . . 10.0 111.87 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.443 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 1.7 mtm -112.34 133.6 54.35 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.382 1.563 . . . . 10.0 112.353 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? -140.58 142.81 35.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 110.893 -2.867 . . . . 10.0 112.389 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -175.72 132.34 0.27 Allowed 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 110.84 -2.891 . . . . 10.0 113.924 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 62.8 19.13 11.26 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 127.842 3.214 . . . . 10.0 112.602 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 93.29 -5.98 75.1 Favored Glycine 0 C--N 1.351 1.378 0 O-C-N 120.812 -1.18 . . . . 10.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 86.8 t -83.95 135.59 24.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 114.668 -0.766 . . . . 10.0 108.986 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 100.75 9.79 Favored 'General case' 0 CA--C 1.505 -0.766 0 O-C-N 126.378 2.299 . . . . 10.0 113.129 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 133.09 53.43 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 114.001 -1.454 . . . . 10.0 108.978 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.07 117.09 19.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 125.308 2.48 . . . . 10.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -101.73 152.28 21.04 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.664 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.47 134.04 43.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -134.61 135.03 41.88 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 126.015 2.072 . . . . 10.0 109.302 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.4 tptm -90.3 137.64 32.18 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 125.117 2.389 . . . . 10.0 114.468 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.416 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -98.36 128.33 44.72 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 112.917 -1.947 . . . . 10.0 108.101 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.8 t -98.89 -47.72 12.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 113.166 -1.833 . . . . 10.0 108.929 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.26 1.638 0 CA-C-O 115.694 -2.098 . . . . 10.0 114.533 -179.834 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.8 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.85 -0.02 9.12 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 125.75 1.906 . . . . 10.0 114.389 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 39.1 t-20 -70.83 145.06 50.54 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-O 121.703 0.763 . . . . 10.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 5' ' ' ASN . . . 143.85 -125.31 2.46 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 123.71 1.728 . . . . 10.0 110.599 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.8 119.39 2.9 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 113.506 -1.347 . . . . 10.0 112.345 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.529 ' CH2' ' HE2' ' A' ' 132' ' ' LYS . 4.1 m95 -122.47 153.24 39.4 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 124.542 1.151 . . . . 10.0 109.83 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -120.11 -122.85 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 127.537 3.023 . . . . 10.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -169.94 138.98 1.82 Allowed 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.362 -1.335 . . . . 10.0 110.974 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.3 -43.94 5.3 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.426 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -178.92 170.53 1.49 Allowed 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 126.079 2.112 . . . . 10.0 112.646 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' N ' ' OG ' ' A' ' 12' ' ' SER . 21.0 m-20 -117.36 -174.35 2.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.222 -1.808 . . . . 10.0 107.993 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.08 -44.15 0.13 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 126.714 2.508 . . . . 10.0 112.792 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -137.94 37.1 2.37 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 125.075 2.369 . . . . 10.0 109.439 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 17.0 t80 -67.8 -44.03 78.29 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 111.632 -2.531 . . . . 10.0 113.201 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -24.31 62.36 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.491 -2.141 . . . . 10.0 112.869 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -30.46 57.5 Favored 'General case' 0 C--O 1.21 -1.004 0 O-C-N 128.221 3.451 . . . . 10.0 111.738 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.69 -23.12 62.42 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 110.599 -3.0 . . . . 10.0 111.301 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 mt -72.86 -33.12 65.91 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-O 125.14 2.4 . . . . 10.0 110.532 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.91 63.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 112.097 -2.319 . . . . 10.0 113.966 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-O 126.383 2.992 . . . . 10.0 113.332 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 12.4 mt -107.54 1.25 23.22 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.351 -2.659 . . . . 10.0 110.492 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 64.63 50.84 2.04 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 113.469 -1.696 . . . . 10.0 114.735 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' HD21 ' A' ' 29' ' ' LEU . 22.2 t -85.71 146.87 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 112.619 -2.082 . . . . 10.0 108.024 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -51.7 157.52 1.14 Allowed 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 110.659 -2.973 . . . . 10.0 113.583 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.66 -29.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 114.661 -1.154 . . . . 10.0 112.71 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.36 69.6 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 126.548 2.405 . . . . 10.0 114.023 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 HD21 ' CG1' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -76.41 -29.14 56.95 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-O 124.509 2.099 . . . . 10.0 115.07 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -29.27 54.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 111.612 -2.54 . . . . 10.0 109.621 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -72.3 -28.76 63.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.594 2.434 . . . . 10.0 112.395 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 HG22 ' CE2' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -78.63 -35.12 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 CA-C-N 110.308 -3.133 . . . . 10.0 110.985 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.41 75.65 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 112.108 -2.315 . . . . 10.0 114.381 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -21.89 58.66 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.144 -2.298 . . . . 10.0 112.554 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.9 -1.93 58.34 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 128.134 3.396 . . . . 10.0 110.137 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 HD21 ' CE1' ' A' ' 57' ' ' PHE . 2.4 mm? -119.05 126.46 51.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 126.84 2.587 . . . . 10.0 112.162 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -128.5 67.6 76.48 Favored Pre-proline 0 C--O 1.211 -0.964 0 CA-C-N 111.837 -2.438 . . . . 10.0 112.018 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.17 -171.67 0.37 Allowed 'Trans proline' 0 C--O 1.217 -0.57 0 O-C-N 128.619 3.957 . . . . 10.0 112.175 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.98 -176.9 4.4 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.718 -2.037 . . . . 10.0 110.79 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -140.42 157.89 44.84 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-N 112.806 -1.997 . . . . 10.0 113.658 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 52' ' ' ARG . 2.4 mt-10 -143.71 94.85 2.65 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 125.176 2.417 . . . . 10.0 111.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -94.46 127.39 46.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.558 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -131.36 128.47 61.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 O-C-N 126.816 2.572 . . . . 10.0 114.375 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 149.26 50.49 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 113.038 -1.892 . . . . 10.0 110.078 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -123.85 22.12 8.97 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 112.819 -1.992 . . . . 10.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.89 -93.44 0.32 Allowed Glycine 0 C--N 1.346 1.121 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.726 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.08 -56.62 5.74 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 112.783 -1.708 . . . . 10.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -67.69 162.25 24.12 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.228 -1.805 . . . . 10.0 114.683 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.6 ttp -155.6 73.39 0.84 Allowed 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.89 2.619 . . . . 10.0 113.823 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.8 mt -56.04 147.0 4.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-O 123.339 1.542 . . . . 10.0 110.115 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.33 121.96 61.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-N 110.877 -2.874 . . . . 10.0 110.183 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 41' ' ' GLU . 5.9 mmm180 -122.77 106.67 11.12 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 123.937 1.827 . . . . 10.0 114.502 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -94.35 96.32 9.46 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.41 -2.177 . . . . 10.0 108.434 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -91.85 93.23 8.73 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 128.009 3.318 . . . . 10.0 113.77 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.19 141.56 51.84 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 127.386 2.929 . . . . 10.0 107.689 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -78.34 -2.34 37.67 Favored 'General case' 0 CA--C 1.495 -1.153 0 O-C-N 127.016 2.697 . . . . 10.0 114.2 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CE2' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -93.85 -54.41 3.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.552 -1.204 . . . . 10.0 107.952 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -144.83 120.16 10.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 111.273 -2.694 . . . . 10.0 111.687 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -82.03 138.99 34.75 Favored 'General case' 0 CA--C 1.505 -0.77 0 O-C-N 124.677 1.236 . . . . 10.0 108.997 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -147.11 136.51 22.72 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 124.568 2.128 . . . . 10.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 62' ' ' MET . 3.6 mp -140.35 144.06 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 111.273 -2.694 . . . . 10.0 113.558 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.42 ' N ' HG21 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -153.83 152.56 30.82 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 125.673 1.858 . . . . 10.0 111.36 179.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -114.34 94.16 4.67 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 127.333 2.896 . . . . 10.0 113.17 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -80.76 119.67 23.65 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -107.81 112.2 24.73 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 127.886 3.241 . . . . 10.0 107.609 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.4 t -65.24 118.03 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.87 0 CA-C-N 113.177 -1.829 . . . . 10.0 114.527 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.21 -29.29 12.83 Favored Glycine 0 CA--C 1.501 -0.801 0 CA-C-N 112.845 -1.98 . . . . 10.0 114.889 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.38 170.03 16.93 Favored 'General case' 0 CA--C 1.497 -1.089 0 O-C-N 125.934 1.608 . . . . 10.0 114.269 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -108.83 115.14 29.52 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 112.652 -2.067 . . . . 10.0 112.652 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.92 161.03 38.56 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 113.325 -1.761 . . . . 10.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -96.34 152.6 18.44 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 124.417 2.056 . . . . 10.0 111.778 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.3 145.83 46.7 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 109.804 -3.362 . . . . 10.0 109.489 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.41 116.92 25.65 Favored 'General case' 0 CA--C 1.504 -0.815 1 O-C-N 129.604 4.315 . . . . 10.0 114.16 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 2.1 mm? -105.53 47.53 0.87 Allowed 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 122.687 1.232 . . . . 10.0 109.192 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -78.99 124.13 27.96 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 111.811 -2.45 . . . . 10.0 107.127 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.94 30.81 Favored Glycine 0 C--O 1.208 -1.476 0 C-N-CA 118.186 -1.959 . . . . 10.0 108.705 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.4 -86.55 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 O-C-N 126.544 1.967 . . . . 10.0 109.091 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -129.44 4.46 5.14 Favored 'General case' 0 CA--C 1.494 -1.177 0 O-C-N 126.047 2.092 . . . . 10.0 113.752 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 56.07 40.24 30.28 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.905 2.288 . . . . 10.0 107.389 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -78.68 -50.82 10.77 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 109.243 -3.617 . . . . 10.0 114.3 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? 25.43 105.79 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 128.753 3.783 . . . . 10.0 115.706 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.6 m -139.07 170.91 15.11 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.594 -2.548 . . . . 10.0 113.727 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.02 157.08 19.61 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 110.574 -3.012 . . . . 10.0 108.554 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 m -150.95 136.14 17.61 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.868 1.98 . . . . 10.0 110.634 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.32 106.03 6.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 126.097 2.123 . . . . 10.0 114.133 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.0 t -82.39 131.18 34.38 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 O-C-N 127.34 2.9 . . . . 10.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -128.03 119.72 26.01 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 111.735 -2.484 . . . . 10.0 110.439 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.431 ' CD1' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -89.09 111.35 22.08 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.516 -0.765 . . . . 10.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -6.45 21.55 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 113.936 -1.483 . . . . 10.0 113.621 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.46 129.15 6.47 Favored Glycine 0 N--CA 1.465 0.568 0 C-N-CA 117.815 -2.136 . . . . 10.0 111.751 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 53.26 25.91 4.78 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.723 -2.239 . . . . 10.0 113.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt 173.36 134.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 112.155 -2.293 . . . . 10.0 109.609 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 88' ' ' TRP . 6.6 tp -112.99 117.77 32.98 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.595 -2.548 . . . . 10.0 111.343 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.41 142.27 33.05 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-O 123.044 1.402 . . . . 10.0 111.712 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.1 t -138.19 96.34 3.17 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 110.874 -2.876 . . . . 10.0 111.879 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 97' ' ' GLN . 3.9 t -103.09 148.17 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 126.926 2.641 . . . . 10.0 112.435 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' ' CG1' ' A' ' 96' ' ' VAL . 5.8 mt-30 -115.04 133.52 55.97 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 126.898 2.624 . . . . 10.0 108.836 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -99.46 63.22 1.26 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 127.264 2.853 . . . . 10.0 109.997 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.65 -124.67 3.88 Favored Glycine 0 C--O 1.212 -1.226 0 CA-C-N 112.293 -2.23 . . . . 10.0 113.6 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.73 -48.66 2.02 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 111.198 -2.501 . . . . 10.0 114.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 165.42 0.14 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 127.96 3.287 . . . . 10.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -121.38 124.97 45.83 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 127.561 3.038 . . . . 10.0 114.068 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.93 7.2 59.98 Favored Glycine 0 C--O 1.209 -1.455 0 O-C-N 125.189 1.556 . . . . 10.0 109.804 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.13 164.2 25.89 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.017 -2.091 . . . . 10.0 109.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 106.9 140.69 9.81 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 110.424 -1.07 . . . . 10.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.93 167.03 10.85 Favored 'General case' 0 CA--C 1.494 -1.181 0 O-C-N 126.125 1.721 . . . . 10.0 111.786 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.63 112.46 7.25 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.26 -1.791 . . . . 10.0 110.072 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.94 168.07 12.31 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.501 -2.136 . . . . 10.0 114.344 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.5 140.96 0.12 Allowed 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 126.377 2.298 . . . . 10.0 111.92 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.4 mt -115.63 136.22 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 O-C-N 127.432 2.958 . . . . 10.0 108.546 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.7 12.47 17.13 Favored 'General case' 0 CA--C 1.495 -1.145 0 O-C-N 127.2 2.812 . . . . 10.0 115.182 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.99 -95.26 0.43 Allowed Glycine 0 C--O 1.209 -1.412 0 CA-C-O 123.553 1.641 . . . . 10.0 111.847 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.5 34.69 3.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 113.239 -1.48 . . . . 10.0 110.615 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -163.46 118.52 1.65 Allowed 'General case' 0 C--O 1.21 -0.981 0 O-C-N 127.176 2.798 . . . . 10.0 111.954 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -97.85 98.42 9.81 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-O 125.069 2.366 . . . . 10.0 113.678 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 157.67 26.71 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 110.691 -2.959 . . . . 10.0 112.869 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.0 tp -149.93 131.47 14.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.547 2.405 . . . . 10.0 108.922 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.54 90.81 3.43 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 125.967 2.042 . . . . 10.0 111.595 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 12.9 mtt -85.68 151.89 23.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.399 -1.728 . . . . 10.0 111.422 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -149.32 152.62 36.17 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 112.625 -2.08 . . . . 10.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -178.54 123.83 0.1 Allowed 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 127.128 2.767 . . . . 10.0 109.627 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.62 40.7 20.23 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-O 125.698 2.666 . . . . 10.0 114.534 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.42 1.81 71.85 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 113.019 -1.9 . . . . 10.0 113.78 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.4 t -96.48 107.75 20.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 O-C-N 126.816 2.127 . . . . 10.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.08 148.32 24.53 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 113.399 -1.728 . . . . 10.0 112.871 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.1 t -156.11 133.91 11.12 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 123.029 1.395 . . . . 10.0 113.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -124.27 123.49 40.36 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 124.741 2.21 . . . . 10.0 112.738 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -105.71 167.84 9.5 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 112.146 -2.297 . . . . 10.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.17 129.59 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 125.57 1.794 . . . . 10.0 112.214 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -123.73 156.55 35.8 Favored 'General case' 0 CA--C 1.502 -0.893 0 O-C-N 125.451 1.719 . . . . 10.0 109.744 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -133.16 109.74 9.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.529 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 1.2 ttmm -55.68 130.89 45.0 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-O 123.432 1.587 . . . . 10.0 114.183 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.56 -11.14 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 110.804 -2.907 . . . . 10.0 114.019 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.413 ' CE1' ' HD3' ' A' ' 132' ' ' LYS . 2.2 m80 . . . . . 0 C--O 1.249 1.061 0 O-C-N 127.499 2.999 . . . . 10.0 111.559 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 N--CA 1.445 -0.685 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -94.47 -37.89 11.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.247 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.99 109.73 0.32 Allowed 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 128.054 3.346 . . . . 10.0 109.808 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.43 39.03 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 126.122 2.139 . . . . 10.0 113.92 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.502 ' CZ ' ' HG3' ' A' ' 41' ' ' GLU . 12.3 m-85 -114.49 100.87 8.62 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 124.518 2.104 . . . . 10.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.525 ' CE3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -102.9 120.85 41.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.152 -2.749 . . . . 10.0 113.361 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.97 154.12 18.32 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 113.434 -1.712 . . . . 10.0 108.488 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.425 ' HE1' ' ND2' ' A' ' 13' ' ' ASN . 2.0 ttp -99.79 141.02 33.16 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 127.207 2.817 . . . . 10.0 108.237 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.94 -53.34 2.66 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.656 -2.975 . . . . 10.0 113.159 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -168.14 126.79 1.2 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 111.678 -2.51 . . . . 10.0 113.41 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 16' ' ' PHE . 7.7 p30 -94.82 171.92 8.48 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.173 -2.285 . . . . 10.0 112.876 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -138.51 134.09 33.48 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 128.304 3.503 . . . . 10.0 109.628 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.58 22.07 6.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 125.781 1.926 . . . . 10.0 109.633 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CG ' ' ND2' ' A' ' 13' ' ' ASN . 10.3 t80 -61.34 -51.17 69.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.43 -1.714 . . . . 10.0 113.091 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.19 -25.55 64.39 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 125.051 2.358 . . . . 10.0 112.989 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -25.97 42.71 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 108.972 -3.74 . . . . 10.0 112.43 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -75.49 -29.03 59.43 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 126.167 2.889 . . . . 10.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.76 -44.09 57.12 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 124.895 2.283 . . . . 10.0 112.202 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -62.1 -25.58 67.8 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 112.237 -2.256 . . . . 10.0 113.509 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.47 73.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 112.063 -2.335 . . . . 10.0 115.064 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.19 11.21 39.91 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 113.394 -1.73 . . . . 10.0 112.213 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.57 41.98 24.88 Favored 'General case' 0 CA--C 1.505 -0.768 0 O-C-N 128.485 3.616 . . . . 10.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.432 ' CG2' ' CB ' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -81.34 151.74 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.742 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.564 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -47.73 143.66 3.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 123.765 1.745 . . . . 10.0 112.275 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.91 -31.47 50.7 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-O 125.083 2.373 . . . . 10.0 110.383 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.39 75.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 112.1 -2.318 . . . . 10.0 112.968 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.53 -30.54 71.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.621 -1.627 . . . . 10.0 114.342 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.5 OUTLIER -72.58 -30.02 64.03 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.347 -2.661 . . . . 10.0 109.343 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.46 67.54 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 112.46 -2.155 . . . . 10.0 109.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.19 -48.96 23.8 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.152 0 O-C-N 125.74 1.9 . . . . 10.0 109.731 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.46 -23.94 52.81 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 124.487 2.089 . . . . 10.0 115.12 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -73.79 -23.42 59.69 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 110.061 -3.245 . . . . 10.0 114.569 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.49 -4.52 48.0 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 112.624 -2.08 . . . . 10.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.0 mt -107.24 172.47 6.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 112.917 -1.947 . . . . 10.0 111.331 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.25 69.44 0.03 OUTLIER Pre-proline 0 CA--C 1.503 -0.865 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -60.45 168.19 6.91 Favored 'Trans proline' 0 CA--C 1.501 -1.134 0 CA-C-O 126.13 2.471 . . . . 10.0 114.941 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -109.99 149.24 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 110.409 -3.087 . . . . 10.0 107.944 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 138.44 50.85 Favored 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.076 2.11 . . . . 10.0 114.474 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 7' ' ' TYR . 20.0 tt0 -120.63 110.18 16.11 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 124.709 2.195 . . . . 10.0 110.358 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.525 HD13 ' CE3' ' A' ' 8' ' ' TRP . 4.7 mp -99.45 146.72 8.15 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-N 110.605 -2.998 . . . . 10.0 112.95 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -146.44 78.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.481 -3.054 . . . . 10.0 110.013 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -55.77 168.35 0.45 Allowed 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 122.785 1.279 . . . . 10.0 113.257 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -149.45 154.38 38.74 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 109.134 -3.666 . . . . 10.0 108.191 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.46 106.27 1.01 Allowed Glycine 0 C--O 1.216 -1.002 0 CA-C-N 111.694 -2.503 . . . . 10.0 113.182 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 86.74 -17.44 0.36 Allowed 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 129.677 3.81 . . . . 10.0 113.739 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -114.36 -166.47 1.11 Allowed 'General case' 0 CA--C 1.5 -0.958 0 O-C-N 125.082 1.489 . . . . 10.0 109.233 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -171.57 133.67 0.8 Allowed 'General case' 0 C--O 1.212 -0.886 0 CA-C-O 123.055 1.407 . . . . 10.0 109.608 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.3 mt -126.03 134.26 66.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 CA-C-N 111.357 -2.656 . . . . 10.0 110.626 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mt -122.12 135.85 60.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 O-C-N 127.766 3.166 . . . . 10.0 110.227 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.2 111.91 19.44 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 113.235 -1.802 . . . . 10.0 108.487 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 54.9 m -101.36 113.9 27.39 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 109.006 -3.725 . . . . 10.0 108.191 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mt -104.45 114.14 28.16 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 127.881 3.238 . . . . 10.0 112.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 130.79 14.6 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 128.867 3.854 . . . . 10.0 108.834 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.79 -24.11 8.22 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 113.471 -1.695 . . . . 10.0 109.982 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -91.74 -20.3 21.69 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 124.59 1.181 . . . . 10.0 114.026 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 59' ' ' ASN . 23.3 ttm105 -169.12 149.53 4.24 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 124.974 2.321 . . . . 10.0 113.256 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -123.95 98.7 5.92 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 111.754 -2.475 . . . . 10.0 109.331 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 10.9 t80 -100.66 114.45 28.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 113.567 -1.651 . . . . 10.0 113.907 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.58 136.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 126.678 2.486 . . . . 10.0 109.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.2 mmm -150.87 154.28 36.92 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.81 -2.904 . . . . 10.0 111.462 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 3.5 p-10 -119.3 94.12 4.32 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 112.978 -1.919 . . . . 10.0 111.794 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -75.52 156.3 35.27 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 112.208 -2.269 . . . . 10.0 112.77 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -129.88 104.48 7.4 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 124.492 2.091 . . . . 10.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.46 123.59 23.45 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 CA-C-N 111.466 -2.606 . . . . 10.0 113.674 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.0 -20.55 43.01 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 111.983 -2.371 . . . . 10.0 112.069 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.26 153.72 30.39 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 123.966 1.841 . . . . 10.0 113.68 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -87.2 141.19 28.83 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 111.559 -2.564 . . . . 10.0 111.822 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -152.29 175.38 12.71 Favored 'General case' 0 CA--C 1.511 -0.519 0 O-C-N 126.63 2.456 . . . . 10.0 112.95 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.75 119.99 26.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.328 -2.214 . . . . 10.0 109.848 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.81 89.8 3.79 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 126.203 2.906 . . . . 10.0 113.758 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.44 107.41 1.36 Allowed 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 109.978 -3.283 . . . . 10.0 112.736 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 77' ' ' ILE . 7.1 tp -105.93 39.74 1.72 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 124.453 2.073 . . . . 10.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.427 ' HA ' ' CA ' ' A' ' 79' ' ' ASP . 38.5 m -83.73 1.7 41.42 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.365 -1.743 . . . . 10.0 112.068 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.405 ' HA2' ' NE ' ' A' ' 58' ' ' ARG . . . -92.41 -9.15 61.98 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 113.607 -1.633 . . . . 10.0 110.608 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.452 ' CD1' HD13 ' A' ' 74' ' ' LEU . 3.7 mp -119.61 -66.55 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 127.288 2.405 . . . . 10.0 110.216 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.432 ' CB ' ' CG2' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -123.43 -38.16 2.58 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.451 1.719 . . . . 10.0 114.959 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.427 ' CA ' ' HA ' ' A' ' 75' ' ' THR . 31.7 t0 85.76 93.92 0.03 OUTLIER 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 124.659 2.171 . . . . 10.0 113.404 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -123.31 -55.27 1.76 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.11 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.93 111.11 0.06 Allowed 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 125.564 1.79 . . . . 10.0 113.3 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 -175.46 4.45 Favored 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 117.667 -1.613 . . . . 10.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.2 mtt -98.45 117.13 32.19 Favored 'General case' 0 CA--C 1.506 -0.75 0 O-C-N 126.815 2.572 . . . . 10.0 108.361 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.9 m -121.2 144.68 48.46 Favored 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 128.943 3.902 . . . . 10.0 114.381 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.6 137.84 48.57 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 110.41 -3.087 . . . . 10.0 108.784 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.13 135.62 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-N 112.561 -2.109 . . . . 10.0 109.87 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 m -126.71 136.65 52.73 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 111.757 -2.474 . . . . 10.0 113.91 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -84.7 81.12 9.01 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 127.682 3.114 . . . . 10.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.76 80.98 4.2 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.544 -3.026 . . . . 10.0 111.976 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.68 -123.05 6.26 Favored Glycine 0 C--O 1.216 -0.982 0 O-C-N 127.622 3.076 . . . . 10.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.88 11.63 31.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.349 -1.926 . . . . 10.0 111.363 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.529 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 21.2 mtmm -128.04 148.03 50.53 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 125.982 2.051 . . . . 10.0 110.348 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.3 tp -93.93 117.06 29.58 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.59 124.6 43.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.103 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.69 161.44 29.69 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.266 2.229 . . . . 10.0 111.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.92 155.15 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-N 111.906 -2.406 . . . . 10.0 111.782 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -131.33 140.51 49.75 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.749 0.656 . . . . 10.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -107.8 69.91 0.75 Allowed 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 128.288 3.492 . . . . 10.0 111.499 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -136.85 70.96 0.48 Allowed Glycine 0 C--N 1.352 1.447 0 CA-C-N 112.702 -2.044 . . . . 10.0 114.509 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 53.47 -169.52 0.05 Allowed 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 124.476 0.751 . . . . 10.0 111.324 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.64 179.15 0.08 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -141.09 120.07 12.75 Favored 'General case' 0 CA--C 1.498 -1.019 0 C-N-CA 118.806 -1.157 . . . . 10.0 111.697 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.2 -3.19 16.38 Favored Glycine 0 C--O 1.211 -1.343 0 CA-C-N 114.395 -1.275 . . . . 10.0 112.065 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.501 ' H ' ' NE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -62.77 131.22 48.13 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 124.733 2.206 . . . . 10.0 108.151 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 148.71 138.31 2.97 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 111.031 -2.804 . . . . 10.0 112.077 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -117.45 159.78 22.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 126.831 2.136 . . . . 10.0 110.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.4 m -149.87 141.73 23.76 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 111.503 -2.589 . . . . 10.0 109.391 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.69 161.21 32.14 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 128.188 3.43 . . . . 10.0 112.51 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 92' ' ' LYS . 16.2 t-105 -168.62 136.28 2.04 Favored 'General case' 0 N--CA 1.468 0.449 1 O-C-N 129.332 4.145 . . . . 10.0 110.238 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.89 136.06 48.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 128.1 3.375 . . . . 10.0 113.223 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.18 -46.94 11.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 112.293 -2.23 . . . . 10.0 112.214 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.47 52.09 0.16 Allowed Glycine 0 C--O 1.213 -1.192 0 O-C-N 127.259 2.849 . . . . 10.0 110.829 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 159.38 -33.38 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 112.191 -2.004 . . . . 10.0 112.7 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.72 137.87 35.5 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 127.832 3.207 . . . . 10.0 110.637 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -95.54 133.13 39.91 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.773 -2.012 . . . . 10.0 111.239 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -121.98 100.55 7.04 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 110.502 -3.044 . . . . 10.0 112.114 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 tp -103.15 146.65 28.08 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 124.632 2.158 . . . . 10.0 109.842 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.06 100.32 5.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.119 -2.31 . . . . 10.0 111.965 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 9.3 mtt -88.1 146.56 25.37 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.718 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -138.7 153.4 48.52 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 114.272 -1.331 . . . . 10.0 112.972 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 175.78 138.55 0.05 Allowed 'General case' 0 C--O 1.209 -1.039 0 O-C-N 123.831 0.707 . . . . 10.0 112.183 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.32 20.35 4.59 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 125.584 1.802 . . . . 10.0 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.88 19.19 58.29 Favored Glycine 0 N--CA 1.473 1.134 0 CA-C-O 123.004 1.335 . . . . 10.0 111.736 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 44.4 t -107.21 143.82 17.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 114.332 -0.934 . . . . 10.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 98.7 m -122.46 103.36 8.66 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 124.828 1.33 . . . . 10.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -114.68 121.31 42.98 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 125.778 1.924 . . . . 10.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -109.83 141.5 42.42 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 126.91 2.631 . . . . 10.0 109.587 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -121.56 114.56 21.38 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 111.853 -2.431 . . . . 10.0 111.29 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.78 125.47 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 127.224 2.827 . . . . 10.0 113.234 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.473 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 39.7 m-85 -113.93 165.07 12.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 114.998 -1.001 . . . . 10.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -144.1 95.86 2.79 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.939 -1.482 . . . . 10.0 114.096 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -49.8 126.21 13.45 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.031 -1.895 . . . . 10.0 113.473 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.4 t -103.01 -15.81 7.79 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 O-C-N 124.868 1.355 . . . . 10.0 113.494 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 C--O 1.257 1.468 0 O-C-N 125.307 1.629 . . . . 10.0 112.946 -179.821 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--O 1.207 -1.133 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.502 ' CZ ' HD11 ' A' ' 110' ' ' ILE . 10.5 m-85 -78.32 -8.1 58.02 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 127.302 2.876 . . . . 10.0 113.993 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -66.54 129.65 40.56 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 118.669 -1.212 . . . . 10.0 112.526 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.82 -173.27 22.69 Favored Glycine 0 C--O 1.21 -1.362 0 O-C-N 126.735 2.522 . . . . 10.0 108.785 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 41' ' ' GLU . 3.3 m-85 -103.41 149.75 24.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 128.599 3.176 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.524 ' CH2' ' HE2' ' A' ' 132' ' ' LYS . 1.7 m95 -148.88 115.1 5.81 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 126.553 2.408 . . . . 10.0 111.571 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -97.33 161.55 13.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 127.338 2.899 . . . . 10.0 108.367 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -98.87 127.9 44.92 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.772 3.17 . . . . 10.0 109.781 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -85.69 -67.75 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 O-C-N 125.646 1.841 . . . . 10.0 111.299 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 p -147.37 172.35 14.04 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.954 -2.839 . . . . 10.0 111.22 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -123.54 -176.48 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 125.156 1.535 . . . . 10.0 109.984 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.28 -45.74 0.63 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 113.907 1.077 . . . . 10.0 113.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.75 39.41 1.14 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 126.246 2.927 . . . . 10.0 113.012 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -69.07 -29.73 67.9 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 112.119 -2.309 . . . . 10.0 113.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.88 -38.76 64.3 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.012 -1.449 . . . . 10.0 114.166 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.35 -26.84 62.99 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.686 -1.143 . . . . 10.0 111.97 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -36.59 73.0 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 127.611 3.069 . . . . 10.0 112.293 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.9 -23.49 65.11 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 110.773 -2.921 . . . . 10.0 114.953 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -71.86 -26.87 62.53 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.033 -1.439 . . . . 10.0 112.729 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.15 92.87 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 127.46 2.975 . . . . 10.0 115.017 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.29 1.57 57.01 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 126.766 2.541 . . . . 10.0 112.507 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.01 48.45 10.78 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.983 -2.372 . . . . 10.0 112.566 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' A' ' 29' ' ' LEU . 4.6 t -79.77 129.75 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 113.159 -1.837 . . . . 10.0 110.869 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 1.7 m120 -49.59 158.0 0.49 Allowed 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 122.338 1.066 . . . . 10.0 112.6 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.62 -23.36 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 113.084 -1.871 . . . . 10.0 112.852 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.28 72.95 Favored 'General case' 0 CA--C 1.499 -0.997 0 O-C-N 126.224 2.202 . . . . 10.0 112.394 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -74.92 -30.63 61.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.852 -1.522 . . . . 10.0 111.812 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -77.78 -24.53 48.89 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 125.317 2.484 . . . . 10.0 114.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -36.48 63.16 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 110.502 -3.045 . . . . 10.0 108.535 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -42.33 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.875 0 CA-C-N 109.031 -3.713 . . . . 10.0 111.445 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.6 -35.72 74.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 113.697 -1.592 . . . . 10.0 115.222 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -22.87 64.83 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 122.525 1.155 . . . . 10.0 114.095 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -112.43 20.44 16.67 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 123.562 1.649 . . . . 10.0 113.351 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -75.76 0.47 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.509 -2.132 . . . . 10.0 113.234 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 49.07 72.29 1.31 Allowed Pre-proline 0 C--O 1.208 -1.125 0 CA-C-O 125.578 2.609 . . . . 10.0 108.0 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -61.55 152.37 73.85 Favored 'Trans proline' 0 CA--C 1.499 -1.251 0 CA-C-N 111.508 -1.997 . . . . 10.0 114.849 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -107.78 88.21 2.68 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 127.606 3.066 . . . . 10.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.11 155.33 24.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -139.39 110.21 6.76 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.872 -2.877 . . . . 10.0 107.792 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.3 mt -108.8 134.79 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 O-C-N 128.45 3.594 . . . . 10.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.75 102.81 3.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 111.64 -2.527 . . . . 10.0 112.834 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.39 145.29 32.08 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.98 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -158.87 90.36 0.99 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.133 -2.303 . . . . 10.0 114.284 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.66 -109.81 2.89 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 110.568 -3.014 . . . . 10.0 111.446 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.61 0.01 41.25 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 119.647 -0.821 . . . . 10.0 109.861 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -98.29 157.83 15.94 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.758 1.911 . . . . 10.0 110.705 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -150.89 79.92 1.32 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-O 123.687 1.708 . . . . 10.0 108.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.8 mt -70.21 140.22 18.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-O 124.441 2.067 . . . . 10.0 111.065 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mt -134.84 122.21 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 112.703 -2.044 . . . . 10.0 111.563 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -108.64 172.93 6.56 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 123.827 1.775 . . . . 10.0 109.917 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.464 ' HB ' ' CB ' ' A' ' 60' ' ' TYR . 11.4 m -153.82 105.16 2.75 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.616 -2.993 . . . . 10.0 110.991 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 mt -107.04 126.35 52.22 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 110.924 -2.853 . . . . 10.0 111.781 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.75 -46.68 0.45 Allowed 'General case' 0 C--O 1.208 -1.107 0 O-C-N 127.78 3.175 . . . . 10.0 112.825 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.4 t 117.34 -7.75 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.746 1 O-C-N 130.726 5.016 . . . . 10.0 109.966 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -96.74 -58.18 2.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 110.965 -2.834 . . . . 10.0 108.341 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.99 130.91 42.04 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 108.913 -3.767 . . . . 10.0 110.772 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -103.04 95.33 6.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.39 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.464 ' CB ' ' HB ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -97.33 138.8 34.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 112.842 -1.981 . . . . 10.0 112.817 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -142.48 126.07 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 CA-C-N 109.735 -3.393 . . . . 10.0 109.53 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -143.55 104.69 4.25 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 127.586 3.054 . . . . 10.0 113.197 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 77.48 1.64 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.173 -1.83 . . . . 10.0 108.213 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.36 114.73 9.74 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 112.031 -2.35 . . . . 10.0 112.517 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.39 135.01 42.49 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 126.079 2.112 . . . . 10.0 111.997 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.4 130.94 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 124.471 1.107 . . . . 10.0 112.436 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.19 87.08 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-O 124.537 2.187 . . . . 10.0 114.357 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.14 138.96 54.36 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.238 -1.981 . . . . 10.0 113.398 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -106.61 145.98 31.26 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 125.811 1.944 . . . . 10.0 113.335 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -154.32 177.93 10.59 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 111.817 -2.447 . . . . 10.0 109.17 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -83.53 145.7 28.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 124.33 2.014 . . . . 10.0 108.513 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -123.37 80.35 1.77 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 109.699 -3.409 . . . . 10.0 109.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.69 94.22 0.12 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.081 -3.236 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 tp -111.75 46.64 1.11 Allowed 'General case' 0 C--O 1.208 -1.117 0 O-C-N 127.86 3.225 . . . . 10.0 107.873 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.429 ' HA ' ' N ' ' A' ' 80' ' ' ARG . 11.3 t -95.85 17.53 15.03 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 109.499 -3.5 . . . . 10.0 113.943 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.91 0.25 8.37 Favored Glycine 0 C--O 1.222 -0.634 0 CA-C-N 112.64 -2.073 . . . . 10.0 112.914 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 77' ' ' ILE . 2.3 mp -108.09 -60.65 2.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-O 125.285 2.469 . . . . 10.0 106.977 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 23.4 p-10 -125.16 4.05 7.87 Favored 'General case' 0 C--O 1.213 -0.852 1 CA-C-N 108.399 -4.001 . . . . 10.0 112.724 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 71.45 38.96 0.96 Allowed 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 126.223 2.202 . . . . 10.0 114.891 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' N ' ' HA ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -128.08 -172.15 2.62 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 121.938 0.875 . . . . 10.0 112.807 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.25 153.46 25.64 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.643 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.39 162.38 3.54 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.242 2.214 . . . . 10.0 113.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.8 mtt -88.61 126.99 35.55 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 111.867 -2.424 . . . . 10.0 112.299 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 m -121.9 146.55 47.01 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 125.427 1.704 . . . . 10.0 113.868 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.2 173.14 11.8 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 111.569 -2.559 . . . . 10.0 109.543 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.441 ' CG2' ' CE1' ' A' ' 64' ' ' PHE . 15.9 t -142.87 129.78 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 125.24 2.448 . . . . 10.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.8 p -135.01 101.48 4.9 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 111.36 -2.655 . . . . 10.0 113.865 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -74.08 149.64 41.0 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 124.359 2.028 . . . . 10.0 111.664 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -102.54 -54.76 2.59 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 113.657 -1.61 . . . . 10.0 109.304 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.46 98.24 0.25 Allowed Glycine 0 C--O 1.211 -1.289 0 CA-C-O 118.049 -1.417 . . . . 10.0 110.966 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 t70 106.5 -11.9 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.75 1 O-C-N 130.469 4.276 . . . . 10.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -132.68 -179.69 5.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 126.818 2.574 . . . . 10.0 108.947 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 tp -147.7 126.72 12.82 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 127.241 2.838 . . . . 10.0 113.282 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -119.47 140.63 50.15 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.578 -1.646 . . . . 10.0 113.363 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.3 t -136.09 98.56 3.9 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 124.904 1.377 . . . . 10.0 109.728 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -96.16 146.45 7.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 1 O-C-N 129.4 4.188 . . . . 10.0 114.003 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.87 124.95 47.31 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 110.387 -3.097 . . . . 10.0 108.935 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -58.87 -53.14 61.71 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 126.331 2.269 . . . . 10.0 110.591 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 38.42 -153.93 0.02 OUTLIER Glycine 0 C--N 1.348 1.222 0 O-C-N 126.902 2.626 . . . . 10.0 114.421 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . 0.255 38.4 mm-40 -135.3 21.87 3.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 111.26 -2.47 . . . . 10.0 108.938 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.43 -165.24 0.98 Allowed 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 126.309 2.256 . . . . 10.0 111.763 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.87 109.54 7.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 112.358 -2.201 . . . . 10.0 111.766 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.62 -18.88 22.18 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 110.743 -2.935 . . . . 10.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.47 148.66 6.61 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.682 2.048 . . . . 10.0 109.721 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.57 112.34 3.17 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-N 109.621 -3.445 . . . . 10.0 107.476 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.468 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -88.06 138.38 31.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 123.386 1.565 . . . . 10.0 115.062 -179.366 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.27 144.48 31.29 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 109.704 -3.407 . . . . 10.0 107.111 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.414 ' NE2' HD21 ' A' ' 115' ' ' LEU . 7.7 tt0 -149.18 165.8 30.75 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 126.943 3.259 . . . . 10.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -163.29 157.23 19.96 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 110.217 -3.174 . . . . 10.0 110.487 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 4' ' ' PHE . 31.9 mt -115.73 148.2 18.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 CA-C-N 114.187 -1.37 . . . . 10.0 114.55 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' N ' HG21 ' A' ' 110' ' ' ILE . 1.3 mt-10 -120.63 -137.48 0.33 Allowed 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 113.324 -1.762 . . . . 10.0 110.223 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.12 -102.12 0.01 OUTLIER Glycine 0 C--O 1.21 -1.347 0 CA-C-O 126.187 3.104 . . . . 10.0 113.668 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -112.73 34.47 4.37 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.351 -1.924 . . . . 10.0 113.351 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.83 165.76 26.63 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 112.291 -2.231 . . . . 10.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -125.62 134.56 51.85 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 125.937 2.023 . . . . 10.0 109.488 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -138.56 132.64 31.42 Favored 'General case' 0 CA--C 1.503 -0.862 0 O-C-N 125.93 2.019 . . . . 10.0 111.927 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.67 155.97 48.55 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 126.367 2.292 . . . . 10.0 109.797 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -114.48 88.98 2.98 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 111.36 -2.654 . . . . 10.0 109.44 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.468 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -72.83 129.06 37.32 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.473 -2.603 . . . . 10.0 111.988 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -131.66 158.1 41.99 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 126.14 2.15 . . . . 10.0 111.497 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -179.34 130.92 0.11 Allowed 'General case' 0 N--CA 1.471 0.581 0 O-C-N 127.378 2.924 . . . . 10.0 113.053 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 46.82 39.27 7.06 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 126.803 2.564 . . . . 10.0 113.861 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.74 11.11 85.75 Favored Glycine 0 C--N 1.348 1.21 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.805 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.0 t -98.55 153.02 4.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-O 121.119 0.485 . . . . 10.0 110.542 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.8 m -133.73 121.7 22.3 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 114.525 -1.216 . . . . 10.0 113.349 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -133.05 124.21 27.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -105.29 105.06 14.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 125.032 2.349 . . . . 10.0 115.191 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -88.3 142.3 27.85 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 112.103 -2.317 . . . . 10.0 108.451 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.2 t -125.05 102.37 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 126.691 2.494 . . . . 10.0 112.09 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 1.9 m-30 -88.47 170.97 10.44 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 126.078 2.111 . . . . 10.0 108.4 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -148.79 134.72 19.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 113.272 -1.785 . . . . 10.0 110.28 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.524 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 2.4 tppp? -73.93 136.52 43.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 112.525 -2.125 . . . . 10.0 112.499 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.52 -37.27 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-N 111.604 -2.544 . . . . 10.0 113.252 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 115.361 -2.257 . . . . 10.0 109.222 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.508 -0.643 0 CA-C-O 121.077 0.465 . . . . 10.0 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -80.91 -36.22 31.41 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 126.887 2.617 . . . . 10.0 113.2 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.12 144.27 7.21 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 124.987 2.327 . . . . 10.0 113.278 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.63 -159.49 21.52 Favored Glycine 0 CA--C 1.505 -0.554 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.769 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -115.54 122.25 45.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 125.696 1.469 . . . . 10.0 113.038 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.512 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 4.1 m95 -125.8 120.71 31.27 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 114.208 1.188 . . . . 10.0 114.208 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -102.78 -174.81 2.64 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 128.156 3.41 . . . . 10.0 108.472 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.44 -177.19 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.793 1.308 . . . . 10.0 110.94 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 mt -152.69 -53.21 0.11 Allowed 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 125.038 2.351 . . . . 10.0 114.684 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -144.48 158.53 43.71 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 111.462 -2.608 . . . . 10.0 113.734 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 1.1 m120 -133.68 157.83 44.79 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 124.733 2.206 . . . . 10.0 110.472 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -157.22 120.6 4.1 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 111.421 -2.627 . . . . 10.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 79.98 3.64 2.0 Allowed 'General case' 0 C--O 1.211 -0.959 0 O-C-N 127.53 3.019 . . . . 10.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -66.15 -29.27 69.54 Favored 'General case' 0 C--O 1.208 -1.11 0 O-C-N 123.861 0.726 . . . . 10.0 112.86 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -78.35 -42.04 31.72 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 125.846 2.736 . . . . 10.0 108.909 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -70.44 -28.4 65.01 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 109.39 -3.55 . . . . 10.0 114.055 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -75.02 -24.34 58.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.633 -2.076 . . . . 10.0 111.332 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.6 mt -72.15 -27.99 62.96 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 125.817 2.722 . . . . 10.0 112.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -71.52 -24.97 62.06 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 111.46 -2.609 . . . . 10.0 109.921 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.3 -38.4 78.26 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 128.358 3.536 . . . . 10.0 110.507 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -103.52 21.91 15.22 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 45.37 71.79 0.25 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 128.882 3.864 . . . . 10.0 112.876 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.0 143.79 13.76 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.075 0 CA-C-N 112.908 -1.951 . . . . 10.0 108.209 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -53.32 159.63 1.33 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 125.367 2.508 . . . . 10.0 111.801 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 t -73.66 -39.53 53.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 110.509 -3.041 . . . . 10.0 113.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.16 63.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 113.615 -1.63 . . . . 10.0 112.661 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.16 -28.21 57.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.522 1.153 . . . . 10.0 111.998 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.82 -29.43 50.64 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 113.028 -1.897 . . . . 10.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.61 -39.12 70.67 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 112.994 -1.912 . . . . 10.0 110.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.495 HG23 ' CE1' ' A' ' 57' ' ' PHE . 21.2 mt -77.64 -25.23 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 110.491 -3.049 . . . . 10.0 112.466 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.36 67.59 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.179 -1.373 . . . . 10.0 112.982 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -77.42 -27.49 52.28 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.547 -1.66 . . . . 10.0 111.793 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mt -104.02 42.65 1.16 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.233 0.613 . . . . 10.0 111.771 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -131.53 -72.16 0.55 Allowed 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 126.473 2.358 . . . . 10.0 111.758 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt 51.9 70.86 1.69 Allowed Pre-proline 0 C--O 1.208 -1.11 0 CA-C-N 114.068 -1.423 . . . . 10.0 112.382 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 22.9 Cg_endo -68.44 171.43 12.97 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 O-C-N 124.885 1.992 . . . . 10.0 113.629 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -119.44 134.46 55.21 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 110.088 -3.233 . . . . 10.0 108.853 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -98.63 141.24 31.7 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 127.32 2.887 . . . . 10.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.44 105.93 8.65 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 127.423 2.952 . . . . 10.0 108.069 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mt -100.6 144.44 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 C-N-CA 116.667 -2.013 . . . . 10.0 109.535 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.7 103.26 2.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.594 -1.639 . . . . 10.0 109.178 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -77.07 135.97 38.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 126.301 2.251 . . . . 10.0 109.428 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.11 49.21 1.95 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 124.922 2.296 . . . . 10.0 109.662 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.02 -91.71 0.53 Allowed Glycine 0 C--O 1.21 -1.351 0 CA-C-N 110.474 -3.057 . . . . 10.0 111.54 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.27 -54.82 11.1 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 123.055 1.407 . . . . 10.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -74.85 156.73 36.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.578 -2.101 . . . . 10.0 112.538 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.447 ' HE2' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -150.03 78.59 1.35 Allowed 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.703 -2.953 . . . . 10.0 109.054 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG22 ' CZ ' ' A' ' 52' ' ' ARG . 3.6 mt -78.86 128.48 38.44 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 111.761 -2.472 . . . . 10.0 112.873 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.21 138.05 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 110.358 -3.11 . . . . 10.0 110.476 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' CZ ' HG22 ' A' ' 50' ' ' ILE . 6.5 mmt-85 -120.67 101.46 7.75 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 109.983 -3.28 . . . . 10.0 113.497 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 m -89.07 86.47 6.91 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 114.381 -1.281 . . . . 10.0 109.274 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -79.34 96.01 5.87 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 125.812 1.945 . . . . 10.0 114.224 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.433 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -132.88 122.41 24.33 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.677 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.78 1.07 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 126.493 3.044 . . . . 10.0 114.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.495 ' CE1' HG23 ' A' ' 32' ' ' ILE . 5.6 t80 -82.25 -57.44 3.38 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 110.557 -3.02 . . . . 10.0 110.265 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.96 127.87 29.43 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 124.849 2.261 . . . . 10.0 113.512 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -99.01 86.1 3.39 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.458 -1.701 . . . . 10.0 111.689 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.95 130.25 36.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 126.898 2.624 . . . . 10.0 113.527 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' MET . 5.7 mt -136.85 152.59 28.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 126.177 2.173 . . . . 10.0 112.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 5.6 mtm -144.72 177.78 8.45 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 111.997 -2.365 . . . . 10.0 109.477 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -140.07 46.9 1.83 Allowed 'General case' 0 CA--C 1.502 -0.892 0 O-C-N 127.692 3.12 . . . . 10.0 109.144 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 70' ' ' PHE . 1.3 m-85 -45.7 105.81 0.07 Allowed 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 113.56 -1.655 . . . . 10.0 114.05 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 10.6 mt-30 -88.72 120.41 30.09 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 125.964 2.04 . . . . 10.0 108.372 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.92 110.44 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 114.653 1.353 . . . . 10.0 114.653 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.43 -15.05 57.79 Favored Glycine 0 C--O 1.214 -1.118 0 O-C-N 127.614 3.071 . . . . 10.0 111.793 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 5.3 tptt -98.28 150.45 21.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.368 -2.416 . . . . 10.0 111.757 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -98.54 119.64 37.6 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 111.406 -2.633 . . . . 10.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.46 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 18.0 p90 -136.97 153.59 50.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 123.957 0.903 . . . . 10.0 112.303 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -76.47 115.79 16.56 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 127.14 2.775 . . . . 10.0 112.553 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -105.35 117.94 35.3 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 126.004 2.065 . . . . 10.0 112.823 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.52 106.87 18.78 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 125.609 2.623 . . . . 10.0 110.934 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.3 mt -96.33 58.54 1.79 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 125.203 2.43 . . . . 10.0 108.83 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 t -101.88 141.28 34.97 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 110.809 -2.905 . . . . 10.0 107.238 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.81 -0.64 70.2 Favored Glycine 0 C--O 1.218 -0.901 0 N-CA-C 108.725 -1.75 . . . . 10.0 108.725 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -64.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 O-C-N 127.769 2.688 . . . . 10.0 107.561 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.96 11.66 1.6 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 109.773 -3.376 . . . . 10.0 114.017 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 t70 55.74 72.99 0.45 Allowed 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.08 147.57 5.59 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.295 -0.86 . . . . 10.0 109.445 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -129.13 143.0 50.71 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 126.309 2.256 . . . . 10.0 108.552 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.96 -178.56 7.39 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 114.94 -1.027 . . . . 10.0 109.203 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.1 mtt -98.18 126.97 43.87 Favored 'General case' 0 C--O 1.208 -1.125 0 O-C-N 125.496 1.748 . . . . 10.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.46 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 8.9 m -119.72 140.5 50.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 112.7 -2.045 . . . . 10.0 114.615 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 m -136.61 134.25 37.17 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.816 -1.993 . . . . 10.0 112.926 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.2 t -97.77 148.67 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 113.051 -1.886 . . . . 10.0 108.389 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.4 t -114.13 -44.37 3.14 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 125.072 1.483 . . . . 10.0 112.727 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.4 t90 70.93 94.03 0.08 Allowed 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.487 2.367 . . . . 10.0 112.049 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.83 107.36 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 113.331 -1.759 . . . . 10.0 107.84 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -40.77 94.16 0.01 OUTLIER Glycine 0 C--O 1.213 -1.21 0 O-C-N 129.023 3.952 . . . . 10.0 113.612 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 136.2 -47.57 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.111 4.065 . . . . 10.0 111.542 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -136.9 107.36 6.48 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 111.595 -2.548 . . . . 10.0 112.555 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' CD1' ' HE2' ' A' ' 49' ' ' MET . 7.0 tt -54.02 139.35 34.83 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.848 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -134.69 136.39 42.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.346 -1.297 . . . . 10.0 113.757 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 59.4 m -120.13 113.45 20.48 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 126.45 2.344 . . . . 10.0 109.47 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.35 135.53 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 O-C-N 126.976 2.672 . . . . 10.0 113.721 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.413 ' NE2' ' CZ2' ' A' ' 106' ' ' TRP . 10.8 mt-30 -120.23 137.89 53.96 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 113.736 -1.575 . . . . 10.0 107.839 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -48.09 51.65 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 110.35 -3.114 . . . . 10.0 113.47 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 26.83 -121.87 0.05 OUTLIER Glycine 0 C--O 1.219 -0.835 0 O-C-N 128.245 3.466 . . . . 10.0 113.71 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -167.02 37.09 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.897 0 O-C-N 126.751 2.089 . . . . 10.0 112.206 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HB3' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -119.38 -173.75 2.58 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 111.793 -2.458 . . . . 10.0 113.837 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -74.8 -71.55 0.34 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 112.233 -2.258 . . . . 10.0 116.08 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -104.71 -6.42 40.68 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-O 117.038 -1.979 . . . . 10.0 115.019 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.474 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -10.83 71.97 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.055 3.312 . . . . 10.0 115.501 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 103' ' ' GLY . . . -175.09 158.83 26.78 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 110.938 -2.846 . . . . 10.0 111.537 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.413 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 1.3 m0 -124.12 152.23 43.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.727 -1.237 . . . . 10.0 113.619 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.7 m -134.81 143.34 47.01 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.961 3.288 . . . . 10.0 110.667 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -119.72 142.18 48.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 124.035 1.874 . . . . 10.0 110.693 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -147.05 123.93 11.29 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 110.996 -2.82 . . . . 10.0 110.266 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.49 135.23 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 124.073 1.892 . . . . 10.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -125.76 70.17 1.2 Allowed 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 124.079 1.895 . . . . 10.0 111.275 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.32 -97.71 1.58 Allowed Glycine 0 C--O 1.216 -0.984 0 CA-C-N 113.558 -1.656 . . . . 10.0 113.01 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.58 24.97 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.444 0.732 . . . . 10.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.9 142.14 28.47 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 123.63 1.681 . . . . 10.0 112.415 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.73 123.59 35.24 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 109.391 -3.55 . . . . 10.0 113.404 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.35 103.89 13.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 112.061 -2.336 . . . . 10.0 109.938 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.5 tp -102.95 137.06 41.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 123.754 1.74 . . . . 10.0 113.571 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.34 103.7 7.79 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.822 -1.99 . . . . 10.0 111.01 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 7.5 mtm -105.13 154.71 19.81 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 113.371 -1.74 . . . . 10.0 111.47 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -150.13 145.8 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.617 -2.538 . . . . 10.0 113.128 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.8 117.99 0.19 Allowed 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 111.984 -2.371 . . . . 10.0 114.314 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.82 30.27 6.35 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.94 -2.391 . . . . 10.0 114.464 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.38 -6.21 77.99 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-N 113.034 -1.894 . . . . 10.0 112.127 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.7 t -84.88 152.45 3.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 N-CA-C 108.463 -0.94 . . . . 10.0 108.463 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.2 m -126.77 106.62 9.48 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 128.438 3.586 . . . . 10.0 108.953 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.1 t -106.08 133.88 50.09 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.884 -1.053 . . . . 10.0 108.652 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -131.19 111.79 12.25 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 126.827 2.579 . . . . 10.0 109.172 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -103.47 133.02 49.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.088 2.118 . . . . 10.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.88 79.8 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 C-N-CA 117.475 -1.69 . . . . 10.0 115.398 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -82.82 148.12 27.96 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 126.451 2.345 . . . . 10.0 108.338 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -126.66 142.91 51.39 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 127.418 2.949 . . . . 10.0 114.17 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.65 148.46 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 110.285 -3.143 . . . . 10.0 109.109 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.61 -61.1 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 CA-C-N 115.11 -0.95 . . . . 10.0 111.914 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.348 0 CA-C-O 113.701 -3.047 . . . . 10.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.495 -1.164 0 CA-C-O 121.136 0.493 . . . . 10.0 109.892 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -106.98 24.63 12.48 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 113.457 0.91 . . . . 10.0 113.457 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -96.31 137.09 35.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.081 1.42 . . . . 10.0 108.704 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.83 -131.39 5.59 Favored Glycine 0 C--O 1.216 -0.969 0 CA-C-O 126.251 3.139 . . . . 10.0 109.687 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -143.58 150.71 39.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.504 -2.348 . . . . 10.0 112.762 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.5 m95 -145.73 156.02 43.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 113.935 -1.484 . . . . 10.0 107.83 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -143.17 -179.75 6.58 Favored 'General case' 0 C--O 1.217 -0.618 1 O-C-N 130.34 4.775 . . . . 10.0 108.35 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.11 160.23 19.32 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 124.682 2.182 . . . . 10.0 113.192 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -146.03 -57.16 0.3 Allowed 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.392 -2.64 . . . . 10.0 110.563 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.52 162.71 39.1 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 129.123 4.014 . . . . 10.0 110.117 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.78 130.31 41.68 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 109.488 -3.506 . . . . 10.0 109.491 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.87 122.82 39.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 113.903 -1.499 . . . . 10.0 113.609 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.67 31.15 1.3 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 126.303 2.954 . . . . 10.0 114.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 47.9 t80 -65.58 -38.94 90.97 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 111.591 -2.55 . . . . 10.0 114.572 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -20.93 51.46 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 110.788 -2.915 . . . . 10.0 113.725 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -76.63 -42.29 42.78 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 110.809 -2.905 . . . . 10.0 109.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.4 ' HB2' ' HB3' ' A' ' 126' ' ' CYS . 18.3 t80 -65.13 -24.11 67.32 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.636 2.46 . . . . 10.0 111.803 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.6 mt -74.07 -42.57 59.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 113.203 -1.817 . . . . 10.0 112.264 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -53.47 -23.92 11.53 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.477 1.911 . . . . 10.0 115.452 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.89 -22.18 56.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.149 -0.932 . . . . 10.0 113.18 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.16 22.78 15.14 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.214 -1.812 . . . . 10.0 112.859 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 48.66 57.76 5.98 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.751 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -90.08 143.82 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.091 0 CA-C-N 113.116 -1.857 . . . . 10.0 108.913 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -68.63 137.1 53.94 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.795 -2.457 . . . . 10.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -20.73 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.903 -2.408 . . . . 10.0 114.996 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.66 -31.25 41.44 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 124.739 1.275 . . . . 10.0 110.141 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.32 -23.83 59.11 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.275 -2.693 . . . . 10.0 110.446 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -68.95 -32.8 72.66 Favored 'General case' 0 C--O 1.211 -0.922 1 O-C-N 129.215 4.072 . . . . 10.0 111.254 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -41.16 58.34 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 109.766 -3.379 . . . . 10.0 113.711 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.418 HG23 ' CE1' ' A' ' 57' ' ' PHE . 3.1 mt -76.42 -29.69 18.96 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.098 0 O-C-N 127.142 2.776 . . . . 10.0 109.176 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.24 -26.83 65.89 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 111.992 -2.367 . . . . 10.0 113.03 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.53 -25.99 68.32 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 112.859 -1.973 . . . . 10.0 113.96 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -112.24 11.26 20.18 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 109.086 -3.688 . . . . 10.0 110.711 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tt -108.48 101.25 10.43 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 127.937 3.273 . . . . 10.0 112.266 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -143.36 75.64 16.7 Favored Pre-proline 0 CA--C 1.507 -0.683 0 O-C-N 128.653 3.721 . . . . 10.0 108.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -62.8 166.67 13.4 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 124.164 3.243 . . . . 10.0 114.357 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.0 152.15 20.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 111.826 -2.443 . . . . 10.0 109.081 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -123.34 127.94 49.21 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 125.449 2.547 . . . . 10.0 111.262 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -115.18 104.08 11.49 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 111.026 -2.806 . . . . 10.0 109.894 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 8' ' ' TRP . 4.8 mp -104.99 146.5 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 O-C-N 124.976 1.422 . . . . 10.0 112.1 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 t -133.24 85.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 112.324 -2.216 . . . . 10.0 113.439 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 126.37 29.18 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 111.668 -2.514 . . . . 10.0 110.215 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.62 67.15 0.69 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 110.278 -3.147 . . . . 10.0 110.983 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.04 -115.58 4.93 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 111.533 -2.576 . . . . 10.0 111.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.94 -6.26 48.91 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.206 1.955 . . . . 10.0 112.519 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 129.3 43.03 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.018 -2.355 . . . . 10.0 109.611 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.43 ' HE2' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -134.11 66.1 1.55 Allowed 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 126.698 3.142 . . . . 10.0 109.101 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.67 102.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.516 0 CA-C-N 110.197 -3.183 . . . . 10.0 113.086 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.6 mt -97.59 122.53 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 O-C-N 127.835 3.209 . . . . 10.0 108.633 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.88 99.61 7.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.858 -2.428 . . . . 10.0 115.158 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.09 111.15 22.69 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 109.869 -3.332 . . . . 10.0 107.649 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.89 116.02 31.2 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 111.934 -2.394 . . . . 10.0 114.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.3 137.42 27.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 124.718 2.199 . . . . 10.0 108.224 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -55.98 -23.46 32.61 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.702 -2.044 . . . . 10.0 112.433 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 32' ' ' ILE . 54.8 m-85 -81.37 -48.29 12.14 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 112.717 -2.038 . . . . 10.0 110.668 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 59' ' ' ASN . 14.0 ttm-85 -164.32 148.26 9.58 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 114.088 -1.414 . . . . 10.0 111.651 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.6 m120 -117.92 126.03 51.59 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 122.194 0.997 . . . . 10.0 109.463 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CZ ' ' HE2' ' A' ' 62' ' ' MET . 9.3 t80 -115.42 82.7 1.8 Allowed 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 113.708 -1.587 . . . . 10.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.7 124.36 38.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 112.8 -2.0 . . . . 10.0 109.822 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.408 ' HE2' ' CZ ' ' A' ' 60' ' ' TYR . 2.7 mtp -121.55 136.5 54.95 Favored 'General case' 0 C--O 1.207 -1.133 0 O-C-N 128.695 3.747 . . . . 10.0 111.4 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -113.73 54.92 0.73 Allowed 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 110.818 -2.901 . . . . 10.0 107.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' HG23 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -35.52 137.16 0.2 Allowed 'General case' 0 CA--C 1.503 -0.842 0 O-C-N 128.611 3.695 . . . . 10.0 113.247 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -138.73 92.25 2.6 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 125.402 2.525 . . . . 10.0 108.252 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.43 HG23 ' HE2' ' A' ' 49' ' ' MET . 55.2 t -58.04 133.42 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.985 0 CA-C-N 110.342 -3.117 . . . . 10.0 111.737 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.06 -6.1 83.91 Favored Glycine 0 C--O 1.214 -1.15 0 O-C-N 125.374 1.671 . . . . 10.0 112.291 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -114.93 118.68 34.14 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.713 0.768 . . . . 10.0 110.082 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 152.43 1.15 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 113.85 -1.523 . . . . 10.0 114.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.422 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -118.4 161.65 19.62 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 111.176 -2.738 . . . . 10.0 113.502 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -134.22 56.58 1.84 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 143.79 9.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 110.668 -2.969 . . . . 10.0 113.899 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.463 ' CB ' ' HD2' ' A' ' 81' ' ' LYS . 4.5 p-10 -142.78 114.43 8.03 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.119 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.3 mt -106.11 57.89 0.66 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.495 -2.593 . . . . 10.0 113.369 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.403 HG22 ' HE3' ' A' ' 81' ' ' LYS . 72.0 p -82.33 0.44 41.68 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 127.343 2.902 . . . . 10.0 111.681 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.52 -3.43 53.17 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 114.269 -1.332 . . . . 10.0 110.386 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -127.05 -65.39 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 126.034 1.667 . . . . 10.0 113.401 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.47 12.28 1.93 Allowed 'General case' 0 C--N 1.34 0.184 0 O-C-N 125.15 1.531 . . . . 10.0 113.98 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 43.0 97.12 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 126.494 2.371 . . . . 10.0 114.346 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 -43.79 1.44 Allowed 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' A' ' 73' ' ' ASP . 1.1 mptm? 61.2 101.87 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.854 1.788 . . . . 10.0 113.494 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.7 m -140.43 -178.63 5.58 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.553 -1.203 . . . . 10.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.99 143.67 39.64 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -133.96 168.31 19.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.345 1.545 . . . . 10.0 112.698 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.92 125.17 12.21 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 111.311 -2.677 . . . . 10.0 109.662 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' CE2' ' A' ' 64' ' ' PHE . 49.1 t -109.03 101.03 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 123.812 1.767 . . . . 10.0 111.596 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.1 -171.23 1.99 Allowed 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 112.83 -1.987 . . . . 10.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 5.3 p-90 -129.3 121.96 28.59 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.238 -2.255 . . . . 10.0 113.045 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.99 103.6 8.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 112.902 -1.953 . . . . 10.0 109.54 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.8 -103.39 1.98 Allowed Glycine 0 C--O 1.22 -0.729 0 O-C-N 127.184 2.802 . . . . 10.0 110.562 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.51 25.17 2.65 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 128.731 3.254 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -132.16 122.63 25.62 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 110.222 -3.172 . . . . 10.0 113.011 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.403 ' CD1' ' HE1' ' A' ' 49' ' ' MET . 6.8 tt -67.2 102.05 0.99 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-N 111.601 -2.545 . . . . 10.0 108.667 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -102.81 132.56 48.9 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 113.431 -1.713 . . . . 10.0 109.676 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.69 98.09 4.1 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 124.972 2.32 . . . . 10.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.89 162.73 3.03 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 110.39 -3.095 . . . . 10.0 109.855 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.47 ' CB ' ' HD3' ' A' ' 104' ' ' ARG . 2.8 mm100 -124.89 157.63 35.49 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 114.551 -1.204 . . . . 10.0 111.737 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 67.31 1.44 Allowed 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 124.681 2.181 . . . . 10.0 112.901 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.88 -155.38 31.5 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 120.089 -1.632 . . . . 10.0 112.629 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.58 -51.95 5.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.929 -2.135 . . . . 10.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 177.11 8.1 Favored 'General case' 0 C--O 1.205 -1.283 0 O-C-N 126.469 2.356 . . . . 10.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.463 ' HG2' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER 70.78 136.4 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.128 1 O-C-N 131.119 5.262 . . . . 10.0 110.904 178.98 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.04 61.53 0.99 Allowed Glycine 0 CA--C 1.504 -0.595 0 CA-C-N 115.475 -0.784 . . . . 10.0 112.829 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.47 ' HD3' ' CB ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -71.47 130.14 40.54 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 124.688 2.185 . . . . 10.0 110.812 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.75 114.79 0.31 Allowed Glycine 0 N--CA 1.469 0.867 0 CA-C-N 111.704 -2.498 . . . . 10.0 109.692 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -110.77 152.6 26.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 126.734 2.079 . . . . 10.0 112.991 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 132.62 43.27 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 127.261 2.851 . . . . 10.0 112.391 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -103.12 108.78 20.1 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.171 2.795 . . . . 10.0 110.073 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -133.47 136.82 45.37 Favored 'General case' 0 C--O 1.21 -0.992 1 O-C-N 130.078 4.611 . . . . 10.0 109.928 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.6 mp -111.32 135.39 50.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 O-C-N 126.417 2.323 . . . . 10.0 114.108 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -106.64 47.98 0.86 Allowed 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 126.577 2.423 . . . . 10.0 113.751 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 57.14 88.52 0.02 OUTLIER Glycine 0 C--N 1.349 1.303 0 CA-C-N 111.783 -2.462 . . . . 10.0 113.612 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 t0 70.41 36.32 1.77 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 110.801 -2.7 . . . . 10.0 113.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -160.18 102.2 1.42 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 128.207 3.442 . . . . 10.0 109.435 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.511 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 7.0 tt -74.51 99.84 3.7 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.809 -2.45 . . . . 10.0 109.497 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -99.64 92.11 5.19 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 123.582 1.658 . . . . 10.0 114.754 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.8 tp -85.24 133.28 34.18 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 113.986 -1.461 . . . . 10.0 107.546 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.72 111.71 22.87 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 128.533 3.646 . . . . 10.0 110.485 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.3 149.95 37.03 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 124.963 1.415 . . . . 10.0 111.166 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.2 mtm-85 -147.23 152.24 38.0 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 112.436 -2.165 . . . . 10.0 111.603 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 173.41 140.1 0.04 OUTLIER 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.979 -1.464 . . . . 10.0 110.28 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 102' ' ' GLU . 1.1 mt-10 45.6 36.24 2.49 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 127.777 3.173 . . . . 10.0 113.439 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.76 24.48 76.93 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-N 111.965 -2.38 . . . . 10.0 112.529 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.3 t -114.85 115.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 127.0 2.236 . . . . 10.0 109.798 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.5 m -103.44 132.17 49.92 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 123.938 1.828 . . . . 10.0 113.656 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -157.28 147.04 20.49 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 126.229 2.919 . . . . 10.0 110.643 179.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.29 142.58 35.69 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 110.221 -3.172 . . . . 10.0 111.26 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -99.47 126.32 45.37 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 113.687 -1.597 . . . . 10.0 109.629 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.21 112.09 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 111.82 -2.445 . . . . 10.0 108.41 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -122.62 173.89 7.43 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 113.04 -1.891 . . . . 10.0 109.516 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.37 145.49 31.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 127.977 3.298 . . . . 10.0 113.376 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.5 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 12.2 tttt -96.55 138.32 34.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 111.399 -2.637 . . . . 10.0 110.027 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.84 -50.3 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 113.88 -1.509 . . . . 10.0 112.994 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.383 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 124.247 1.975 . . . . 10.0 110.742 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.531 ' CD1' ' HE1' ' A' ' 49' ' ' MET . 10.0 m-85 -91.17 -32.26 15.88 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 112.977 -1.919 . . . . 10.0 110.046 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.24 88.83 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 111.398 -2.637 . . . . 10.0 111.74 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.22 167.58 39.29 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-O 124.776 2.32 . . . . 10.0 113.131 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.45 109.37 20.95 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-N 111.174 -2.513 . . . . 10.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CE3' ' CD1' ' A' ' 115' ' ' LEU . 2.7 m0 -103.16 108.61 19.87 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 113.298 -1.774 . . . . 10.0 111.866 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 131' ' ' LYS . 5.4 ptmt -106.55 141.29 38.08 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 125.162 1.538 . . . . 10.0 107.043 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.433 ' HG3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.82 -178.47 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.9 3.238 . . . . 10.0 114.991 -179.223 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.408 ' N ' ' HG2' ' A' ' 10' ' ' MET . 0.4 OUTLIER -158.17 -61.78 0.08 Allowed 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 108.994 -3.73 . . . . 10.0 109.051 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -179.09 148.06 0.37 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 127.283 2.864 . . . . 10.0 111.361 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.9 150.75 49.15 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 110.181 -3.19 . . . . 10.0 112.217 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -121.98 151.67 40.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.645 -2.98 . . . . 10.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.01 24.03 7.34 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 112.658 -2.065 . . . . 10.0 110.966 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -75.92 -35.99 59.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.801 -1.545 . . . . 10.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.24 -36.67 61.26 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 125.183 1.552 . . . . 10.0 112.39 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -75.62 -28.88 59.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.673 -1.603 . . . . 10.0 112.055 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -68.75 -28.45 66.81 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 127.357 2.91 . . . . 10.0 113.848 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -73.99 -38.9 63.98 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 112.107 -2.315 . . . . 10.0 109.929 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -65.47 -24.89 67.27 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 127.112 2.757 . . . . 10.0 113.956 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.68 70.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 126.031 2.082 . . . . 10.0 114.021 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -98.68 9.27 43.68 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 126.742 2.526 . . . . 10.0 109.628 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.9 75.54 0.21 Allowed 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 126.57 2.419 . . . . 10.0 109.92 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 26' ' ' ASN . 2.1 t -116.66 144.4 24.48 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 CA-C-N 111.485 -2.598 . . . . 10.0 111.534 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' N ' HG11 ' A' ' 25' ' ' VAL . 10.0 m120 -43.3 146.28 0.48 Allowed 'General case' 0 C--N 1.345 0.37 0 O-C-N 128.167 3.417 . . . . 10.0 113.015 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.99 -20.22 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 123.255 1.502 . . . . 10.0 110.4 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.83 59.9 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 123.169 1.462 . . . . 10.0 109.63 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tp -79.83 -28.63 40.11 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 113.744 -1.571 . . . . 10.0 112.815 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -75.14 -33.93 61.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 110.693 -2.958 . . . . 10.0 109.187 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -72.53 -39.45 67.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 128.186 3.429 . . . . 10.0 111.752 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.7 mt -73.24 -44.6 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 CA-C-N 109.53 -3.486 . . . . 10.0 109.725 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.66 67.98 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 123.433 1.587 . . . . 10.0 113.746 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -33.87 69.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 123.897 1.808 . . . . 10.0 113.027 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.33 11.79 35.35 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 113.378 -1.737 . . . . 10.0 112.966 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 55' ' ' SER . 0.2 OUTLIER -82.85 -74.42 0.36 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 125.977 2.048 . . . . 10.0 114.484 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HB3' ' HG3' ' A' ' 10' ' ' MET . 0.8 OUTLIER 53.37 71.18 1.48 Allowed Pre-proline 0 CA--C 1.51 -0.569 0 C-N-CA 118.188 -1.405 . . . . 10.0 112.255 -179.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -72.88 -177.79 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.82 1.68 . . . . 10.0 113.617 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.55 112.21 7.12 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 123.945 1.831 . . . . 10.0 109.125 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.23 148.84 24.17 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 110.742 -2.936 . . . . 10.0 113.902 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -136.58 102.36 4.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 127.581 3.051 . . . . 10.0 109.438 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 2.2 mp -96.32 135.4 30.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 113.153 -1.84 . . . . 10.0 110.848 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -122.63 101.01 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 O-C-N 126.695 2.497 . . . . 10.0 113.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -82.94 122.05 27.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 111.583 -2.553 . . . . 10.0 110.698 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -120.51 16.66 12.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.209 -0.932 . . . . 10.0 112.062 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.09 -82.56 0.35 Allowed Glycine 0 N--CA 1.467 0.734 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.2 -52.01 4.89 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 110.81 -2.695 . . . . 10.0 109.646 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.437 ' ND1' ' H ' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -73.97 127.55 33.19 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 111.896 -2.411 . . . . 10.0 110.452 179.682 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -125.77 59.94 1.28 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 110.784 -2.916 . . . . 10.0 109.261 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 mt -43.59 129.4 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-N 109.549 -3.478 . . . . 10.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mt -116.49 127.81 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 112.267 -2.242 . . . . 10.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.39 144.31 50.87 Favored 'General case' 0 C--O 1.208 -1.086 0 O-C-N 124.521 1.138 . . . . 10.0 111.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.91 120.53 16.19 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 110.283 -3.144 . . . . 10.0 111.46 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -111.26 76.71 0.99 Allowed 'General case' 0 C--O 1.216 -0.66 0 O-C-N 128.994 3.934 . . . . 10.0 107.726 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 8.8 p -82.33 -4.36 57.1 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 110.904 -2.862 . . . . 10.0 112.788 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 m 62.01 21.64 12.5 Favored 'General case' 0 C--O 1.209 -1.048 0 O-C-N 125.912 2.008 . . . . 10.0 113.287 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -141.66 -68.21 0.39 Allowed 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.143 -2.299 . . . . 10.0 109.681 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -129.78 88.4 2.67 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 112.829 -1.987 . . . . 10.0 112.015 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -54.07 106.59 0.2 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 111.23 -2.714 . . . . 10.0 110.492 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -106.59 113.76 27.45 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 123.162 1.458 . . . . 10.0 113.882 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.4 HD13 ' N ' ' A' ' 61' ' ' ILE . 5.3 mp -120.97 135.69 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 113.245 -1.798 . . . . 10.0 110.374 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.2 mmt -146.47 165.04 30.61 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 110.08 -3.236 . . . . 10.0 112.016 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -127.14 70.79 1.3 Allowed 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.714 1.259 . . . . 10.0 110.006 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.45 104.92 1.06 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 128.732 3.77 . . . . 10.0 110.526 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -96.66 146.21 25.06 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.906 -1.952 . . . . 10.0 109.499 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.78 132.83 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.92 43.7 5.45 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.272 -1.786 . . . . 10.0 109.711 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? -111.08 -48.62 3.09 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 114.552 1.315 . . . . 10.0 114.552 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 86.99 132.68 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.91 0 O-C-N 127.424 2.953 . . . . 10.0 111.914 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 6.6 p90 -161.26 168.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 124.277 1.989 . . . . 10.0 112.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.3 145.91 41.42 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.135 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.02 107.65 4.84 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.306 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 114.42 23.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 112.134 -2.303 . . . . 10.0 110.315 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 74' ' ' LEU . 2.3 mm? -96.01 53.22 1.36 Allowed 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 111.661 -2.518 . . . . 10.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.4 p -70.86 -3.63 20.08 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.612 -1.631 . . . . 10.0 114.793 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.52 1.09 32.53 Favored Glycine 0 N--CA 1.471 1.014 0 C-N-CA 119.693 -1.241 . . . . 10.0 113.165 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.6 mt -117.96 -70.43 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 112.329 -1.936 . . . . 10.0 110.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -150.03 27.41 0.78 Allowed 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 114.153 1.168 . . . . 10.0 114.153 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 35.07 92.87 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.902 0 O-C-N 128.795 3.81 . . . . 10.0 114.64 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -129.66 100.14 5.4 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 109.533 -3.485 . . . . 10.0 110.195 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 123.38 33.46 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 116.667 -2.013 . . . . 10.0 108.811 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -158.09 171.5 20.11 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 128.528 3.643 . . . . 10.0 111.686 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -107.73 126.42 52.59 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 128.533 3.645 . . . . 10.0 107.359 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.6 m -109.8 151.66 26.7 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 125.911 2.007 . . . . 10.0 114.973 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.14 134.61 28.03 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 110.147 -3.206 . . . . 10.0 107.679 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.26 109.21 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 O-C-N 127.329 2.893 . . . . 10.0 114.224 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 t -98.17 141.96 30.44 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.282 0.989 . . . . 10.0 111.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' TRP . 0.0 OUTLIER -107.31 25.88 10.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.826 -1.079 . . . . 10.0 113.905 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -2.06 -66.85 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 127.482 2.989 . . . . 10.0 115.951 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.66 -97.74 0.49 Allowed Glycine 0 C--O 1.214 -1.147 0 CA-C-O 124.334 2.074 . . . . 10.0 111.583 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -109.99 27.25 9.78 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.437 1.589 . . . . 10.0 113.631 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.75 -178.36 7.24 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.719 -1.582 . . . . 10.0 112.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.44 119.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 126.171 2.169 . . . . 10.0 112.57 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.14 102.51 8.19 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.827 1.775 . . . . 10.0 108.433 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.0 t -87.71 128.59 35.3 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 110.745 -2.934 . . . . 10.0 113.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.43 131.9 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.124 0 CA-C-N 113.198 -1.819 . . . . 10.0 112.664 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HB2' ' HD2' ' A' ' 104' ' ' ARG . 34.7 mt-30 -104.2 137.5 42.03 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 111.723 -2.489 . . . . 10.0 107.573 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -93.61 51.54 1.59 Allowed 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 124.956 2.312 . . . . 10.0 114.882 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.46 158.74 15.46 Favored Glycine 0 C--O 1.219 -0.794 0 CA-C-N 112.171 -2.286 . . . . 10.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -51.91 158.59 1.0 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 118.081 -0.962 . . . . 10.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 105.88 136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 1 O-C-N 130.108 4.63 . . . . 10.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -97.16 132.24 43.13 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 112.04 -2.345 . . . . 10.0 110.035 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.07 1.79 Allowed Glycine 0 C--O 1.211 -1.34 0 N-CA-C 108.18 -1.968 . . . . 10.0 108.18 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 104' ' ' ARG . 1.2 ttp-105 -34.53 130.5 0.37 Allowed 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 129.165 3.509 . . . . 10.0 110.8 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.86 110.46 1.35 Allowed Glycine 0 C--O 1.213 -1.183 0 CA-C-N 112.723 -2.035 . . . . 10.0 109.409 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.406 ' CZ2' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.58 177.8 0.19 Allowed 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 114.438 -0.881 . . . . 10.0 112.406 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m 179.92 129.21 0.09 Allowed 'General case' 0 C--O 1.22 -0.497 0 O-C-N 127.764 3.165 . . . . 10.0 110.079 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 109' ' ' TRP . 25.2 tt0 -139.03 147.01 41.52 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 111.479 -2.6 . . . . 10.0 114.377 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.427 ' N ' ' HG2' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -157.62 124.3 4.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 110.891 -2.868 . . . . 10.0 109.546 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.3 mt -84.3 151.23 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.162 0 CA-C-N 110.756 -2.929 . . . . 10.0 112.689 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.43 -64.14 1.31 Allowed 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 123.632 1.682 . . . . 10.0 112.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.16 -102.12 1.03 Allowed Glycine 0 CA--C 1.503 -0.717 0 N-CA-C 109.088 -1.605 . . . . 10.0 109.088 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -118.34 17.97 13.75 Favored 'General case' 0 CA--C 1.494 -1.19 0 CA-C-O 122.332 1.063 . . . . 10.0 109.738 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.49 109.88 11.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 111.944 -2.389 . . . . 10.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.532 ' CD1' ' CE3' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -78.03 119.11 21.01 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 125.894 1.996 . . . . 10.0 112.605 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 16.5 t60 -116.48 152.7 33.5 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 129.008 3.943 . . . . 10.0 108.461 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 116' ' ' HIS . 1.2 pp -156.3 149.31 24.15 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 111.123 -2.762 . . . . 10.0 109.24 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -125.85 79.29 1.82 Allowed 'General case' 0 CA--C 1.494 -1.19 0 CA-C-N 114.393 -1.276 . . . . 10.0 113.439 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.492 ' CG ' ' HB3' ' A' ' 126' ' ' CYS . 23.0 ptm -74.01 166.65 23.0 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 127.574 3.046 . . . . 10.0 108.787 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -144.97 153.12 41.18 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 111.728 -2.487 . . . . 10.0 108.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -166.57 103.09 0.59 Allowed 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 126.71 2.506 . . . . 10.0 113.441 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 76.25 26.06 0.97 Allowed 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 123.555 1.645 . . . . 10.0 113.81 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.55 -17.08 58.94 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 121.02 -1.05 . . . . 10.0 112.105 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.6 t -77.21 166.35 2.74 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.067 0 CA-C-N 111.216 -2.492 . . . . 10.0 108.658 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.2 m -140.88 112.65 7.62 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 112.951 -1.932 . . . . 10.0 110.323 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 119' ' ' MET . 2.2 t -98.19 142.03 30.37 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 125.55 2.595 . . . . 10.0 113.906 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -117.55 100.43 7.64 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.321 -2.112 . . . . 10.0 113.631 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -103.11 117.82 35.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.6 t -113.06 116.42 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 O-C-N 125.599 1.812 . . . . 10.0 114.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' MET . 8.7 m-85 -114.45 141.25 47.92 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.171 1.462 . . . . 10.0 109.497 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 tptt -99.61 118.41 36.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 125.528 2.585 . . . . 10.0 112.554 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -65.93 133.56 51.15 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 124.84 2.257 . . . . 10.0 108.732 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 90.3 t -104.39 -38.43 4.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 CA-C-N 110.927 -2.851 . . . . 10.0 114.396 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--O 1.261 1.68 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.277 -179.905 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 122.198 0.999 . . . . 10.0 109.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -72.82 -12.29 60.93 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 113.466 -1.697 . . . . 10.0 112.708 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.42 126.87 14.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.59 -2.096 . . . . 10.0 113.717 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.7 -171.59 34.28 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-O 124.924 2.402 . . . . 10.0 109.772 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.494 ' CE1' ' HG2' ' A' ' 41' ' ' GLU . 1.2 m-85 -117.43 87.3 2.68 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 109.914 -3.143 . . . . 10.0 109.061 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HB2' ' CG ' ' A' ' 40' ' ' LYS . 1.7 m95 -86.6 146.44 26.34 Favored 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 127.108 3.337 . . . . 10.0 113.379 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -154.1 136.59 15.06 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 109.254 -3.612 . . . . 10.0 110.96 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.7 ttm -78.28 132.04 37.33 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 111.818 -2.446 . . . . 10.0 111.396 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 mt -98.04 -45.69 6.16 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 110.022 -3.263 . . . . 10.0 111.213 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 p -148.68 164.21 35.02 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-N 109.63 -3.441 . . . . 10.0 109.866 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -145.38 171.95 13.87 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 123.755 1.74 . . . . 10.0 109.641 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.71 140.24 18.81 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 123.817 1.77 . . . . 10.0 109.506 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 59.31 26.78 15.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 110.983 -2.826 . . . . 10.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -69.01 -32.66 72.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 124.644 2.164 . . . . 10.0 113.061 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.22 -33.37 61.36 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.425 -2.17 . . . . 10.0 112.877 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.45 -26.91 41.65 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 112.553 -2.112 . . . . 10.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -76.44 -25.26 54.22 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 123.7 1.714 . . . . 10.0 113.918 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 33' ' ' ALA . 68.9 mt -76.67 -35.75 57.74 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 112.827 -1.988 . . . . 10.0 110.28 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -76.11 -20.12 57.92 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 127.411 2.944 . . . . 10.0 113.249 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.33 67.48 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.768 3.167 . . . . 10.0 114.855 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.3 mt -105.32 13.87 29.76 Favored 'General case' 0 C--O 1.21 -0.979 0 O-C-N 126.422 2.326 . . . . 10.0 112.99 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 49.26 35.95 8.48 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.887 1.803 . . . . 10.0 111.702 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 26' ' ' ASN . 23.9 t -50.46 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 113.5 -1.682 . . . . 10.0 111.379 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' N ' HG11 ' A' ' 25' ' ' VAL . 0.7 OUTLIER 174.19 148.87 0.08 Allowed 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 125.049 1.34 . . . . 10.0 110.351 179.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 t -76.37 -31.52 20.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.88 -23.58 48.76 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 111.211 -2.722 . . . . 10.0 113.248 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 tt -78.12 -33.89 50.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 123.522 1.629 . . . . 10.0 108.259 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -65.9 -34.81 78.99 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 111.967 -2.378 . . . . 10.0 112.288 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -65.7 -41.8 91.91 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 113.205 -1.816 . . . . 10.0 112.259 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CE1' ' A' ' 57' ' ' PHE . 1.3 mp -76.87 -38.82 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 CA-C-N 110.259 -3.155 . . . . 10.0 112.397 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -58.13 -23.0 53.43 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 120.324 -1.485 . . . . 10.0 114.274 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -72.32 -29.88 64.25 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.855 1.788 . . . . 10.0 114.555 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.06 18.81 17.61 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.344 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' CD1' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -145.49 135.27 23.49 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 126.486 3.041 . . . . 10.0 113.056 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -134.07 91.27 24.2 Favored Pre-proline 0 CA--C 1.51 -0.582 0 CA-C-N 111.213 -2.721 . . . . 10.0 108.273 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 21.8 Cg_exo -56.58 179.17 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.075 0 O-C-N 127.425 3.329 . . . . 10.0 114.614 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.11 158.77 43.71 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 111.204 -2.725 . . . . 10.0 108.558 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.575 ' CG ' ' HB2' ' A' ' 8' ' ' TRP . 1.7 ptpp? -137.41 160.63 38.55 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.073 -2.785 . . . . 10.0 115.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 23.0 mt-10 -136.36 97.79 3.67 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 111.292 -2.686 . . . . 10.0 111.964 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 8' ' ' TRP . 19.8 mt -91.78 122.8 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 O-C-N 128.414 3.571 . . . . 10.0 111.452 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -126.92 91.65 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.868 0 CA-C-N 112.886 -1.961 . . . . 10.0 110.747 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.36 160.04 7.19 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 127.687 3.117 . . . . 10.0 110.078 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.01 74.81 0.15 Allowed 'General case' 0 CA--C 1.498 -1.031 0 O-C-N 126.652 2.47 . . . . 10.0 112.971 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.28 -100.11 0.5 Allowed Glycine 0 C--O 1.21 -1.371 0 CA-C-O 123.945 1.859 . . . . 10.0 113.396 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.71 -35.0 16.98 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.96 -2.12 . . . . 10.0 110.574 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -82.07 135.41 35.33 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 113.054 -1.885 . . . . 10.0 113.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.0 ttm -122.5 108.22 12.92 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 127.087 2.742 . . . . 10.0 112.011 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.8 mt -106.04 125.43 61.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 112.145 -2.298 . . . . 10.0 113.092 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.4 HG13 HG22 ' A' ' 42' ' ' ILE . 3.7 mt -126.92 116.36 44.46 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 113.039 -1.891 . . . . 10.0 110.017 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -97.12 171.07 8.69 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 124.201 1.953 . . . . 10.0 110.53 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -151.88 108.38 3.46 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 110.677 -2.965 . . . . 10.0 109.359 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.9 mt -98.13 104.22 16.23 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 110.606 -2.997 . . . . 10.0 113.547 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.89 119.56 13.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.176 -1.374 . . . . 10.0 109.11 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.1 p -55.01 -21.9 13.54 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 127.438 2.961 . . . . 10.0 114.86 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' CE1' HG21 ' A' ' 32' ' ' ILE . 2.6 t80 -74.53 -34.54 63.01 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 125.712 2.673 . . . . 10.0 112.1 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 172.81 121.74 0.02 OUTLIER 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 111.537 -2.574 . . . . 10.0 110.773 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -86.38 132.21 34.01 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.386 -2.188 . . . . 10.0 112.625 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.504 ' CZ ' HD11 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -100.31 -138.08 0.32 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 115.213 -2.327 . . . . 10.0 106.176 179.216 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.432 ' CB ' ' O ' ' A' ' 60' ' ' TYR . 21.8 mt 127.12 139.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 1 O-C-N 129.158 4.036 . . . . 10.0 112.447 178.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.448 ' HE1' ' CE2' ' A' ' 60' ' ' TYR . 3.8 mtt -131.51 148.57 52.64 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 125.122 2.391 . . . . 10.0 110.461 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -119.53 32.52 6.04 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 112.598 -2.092 . . . . 10.0 110.94 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.36 133.17 1.9 Allowed 'General case' 0 C--O 1.216 -0.673 0 O-C-N 126.798 2.561 . . . . 10.0 114.553 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 34.3 mt-30 -112.95 150.15 32.25 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 111.568 -2.56 . . . . 10.0 108.785 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -99.62 131.09 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 O-C-N 124.108 0.88 . . . . 10.0 111.265 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.59 -3.59 86.91 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-O 124.138 1.966 . . . . 10.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 65' ' ' GLN . 6.5 mmtm -103.19 157.28 17.11 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 112.569 -1.815 . . . . 10.0 109.194 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -131.72 109.6 10.28 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 124.272 1.987 . . . . 10.0 112.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -135.36 162.91 31.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.85 -2.886 . . . . 10.0 114.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.53 163.45 18.62 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 126.146 2.154 . . . . 10.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -141.11 102.78 4.32 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 122.549 1.166 . . . . 10.0 113.572 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.8 108.08 19.32 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 111.545 -2.571 . . . . 10.0 108.308 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.65 1.35 49.65 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.727 -2.033 . . . . 10.0 113.72 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 p -40.4 107.89 0.08 Allowed 'General case' 0 CA--C 1.495 -1.158 0 O-C-N 126.685 2.49 . . . . 10.0 115.205 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.29 -11.26 7.65 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.018 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.504 HD11 ' CZ ' ' A' ' 60' ' ' TYR . 15.1 mt -112.5 -66.78 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-N 111.563 -2.319 . . . . 10.0 111.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.03 11.35 2.85 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 114.496 -1.229 . . . . 10.0 114.083 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 50.35 73.09 0.29 Allowed 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 124.467 2.079 . . . . 10.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -142.32 150.84 41.33 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.472 -3.058 . . . . 10.0 108.601 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -138.11 125.84 22.33 Favored 'General case' 0 CA--C 1.506 -0.721 0 O-C-N 128.783 3.802 . . . . 10.0 108.906 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 p -156.07 163.76 39.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 125.57 2.605 . . . . 10.0 112.709 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.0 mtm -92.92 115.16 27.86 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 109.434 -3.53 . . . . 10.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.3 m -106.04 148.65 27.51 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 125.715 1.885 . . . . 10.0 115.197 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.96 134.75 17.69 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 110.286 -3.143 . . . . 10.0 113.314 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.0 t -113.96 138.17 44.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-O 125.335 2.493 . . . . 10.0 109.16 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -139.01 161.77 36.56 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 110.672 -2.967 . . . . 10.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -94.06 157.94 15.85 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.249 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -154.95 46.63 0.53 Allowed 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 126.997 2.686 . . . . 10.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.55 -91.82 1.74 Allowed Glycine 0 C--O 1.215 -1.09 0 CA-C-N 113.54 -1.664 . . . . 10.0 111.324 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.81 -51.6 3.03 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 128.279 2.988 . . . . 10.0 111.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.414 ' HD3' HG22 ' A' ' 107' ' ' THR . 6.9 ttmt -73.42 133.54 43.76 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.002 -1.908 . . . . 10.0 108.987 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 tt -111.01 114.59 28.01 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 128.269 3.48 . . . . 10.0 110.943 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.07 145.34 30.05 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 111.998 -2.365 . . . . 10.0 110.781 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 64.1 m -130.61 83.46 2.12 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 110.739 -2.937 . . . . 10.0 108.747 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.86 154.7 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.89 0 CA-C-N 113.343 -1.753 . . . . 10.0 113.685 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -119.47 158.52 26.08 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-O 122.29 1.043 . . . . 10.0 109.18 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -127.3 46.22 2.57 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.367 -2.197 . . . . 10.0 113.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.73 -163.89 38.55 Favored Glycine 0 CA--C 1.494 -1.279 0 CA-C-N 111.615 -2.539 . . . . 10.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -99.68 146.46 26.48 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.358 -0.921 . . . . 10.0 113.026 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt 87.74 176.72 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.508 1 O-C-N 130.013 4.571 . . . . 10.0 108.598 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.07 171.94 13.62 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 124.093 0.87 . . . . 10.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.6 -91.96 1.7 Allowed Glycine 0 C--O 1.211 -1.292 0 O-C-N 127.444 2.965 . . . . 10.0 114.237 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER 15.91 97.3 0.0 OUTLIER 'General case' 0 C--O 1.216 -0.662 1 O-C-N 130.088 4.052 . . . . 10.0 114.237 179.783 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.06 138.91 3.55 Favored Glycine 0 C--O 1.211 -1.309 0 CA-C-N 110.86 -2.882 . . . . 10.0 112.744 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.477 ' CD1' ' HE2' ' A' ' 119' ' ' MET . 1.7 m0 -105.12 151.84 23.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 113.434 -1.383 . . . . 10.0 114.537 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.414 HG22 ' HD3' ' A' ' 92' ' ' LYS . 1.4 m -126.11 103.31 7.64 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 110.896 -2.865 . . . . 10.0 108.232 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 146.78 23.95 Favored 'General case' 0 CA--C 1.498 -1.042 0 O-C-N 125.851 1.969 . . . . 10.0 114.967 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -151.01 134.1 15.98 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 111.222 -2.717 . . . . 10.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mt -96.79 140.84 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-O 125.508 2.575 . . . . 10.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -137.75 178.68 6.92 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 111.495 -2.593 . . . . 10.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.72 102.59 0.06 OUTLIER Glycine 0 C--O 1.211 -1.283 0 CA-C-N 112.254 -2.248 . . . . 10.0 111.507 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.03 32.39 0.11 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.924 -2.138 . . . . 10.0 113.928 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -148.81 156.05 41.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 125.918 2.011 . . . . 10.0 110.367 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -114.54 117.99 32.49 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 113.256 -1.793 . . . . 10.0 112.829 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.24 129.22 42.44 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.46 1.6 . . . . 10.0 109.151 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.5 tp -135.98 105.03 5.91 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 112.079 -2.328 . . . . 10.0 112.973 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -95.85 70.87 2.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.003 -1.453 . . . . 10.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.477 ' HE2' ' CD1' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -63.29 141.25 58.83 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 124.06 1.886 . . . . 10.0 109.466 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -144.73 112.35 6.19 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 110.26 -3.154 . . . . 10.0 111.496 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.02 131.32 34.82 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 113.002 -1.908 . . . . 10.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.86 22.75 10.57 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.023 -2.808 . . . . 10.0 110.271 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.7 41.29 24.43 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-O 124.761 2.312 . . . . 10.0 114.265 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.53 109.87 10.82 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 125.365 2.507 . . . . 10.0 111.367 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.405 HG21 ' HE2' ' A' ' 127' ' ' LYS . 82.2 m -81.21 130.65 35.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-N 109.752 -3.386 . . . . 10.0 113.439 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.8 t -126.53 142.34 51.57 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 111.395 -2.638 . . . . 10.0 109.178 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.405 ' HE2' HG21 ' A' ' 125' ' ' THR . 40.2 mttm -136.55 114.47 11.34 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.054 1.407 . . . . 10.0 113.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.54 109.71 13.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.927 -1.942 . . . . 10.0 111.452 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.15 130.11 43.51 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-O 122.922 1.344 . . . . 10.0 113.174 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 115' ' ' LEU . 3.8 m-30 -99.5 174.23 6.36 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 110.947 -2.842 . . . . 10.0 108.948 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -152.37 102.96 2.8 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.32 1.057 . . . . 10.0 110.413 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -52.47 122.08 8.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 111.279 -2.692 . . . . 10.0 114.24 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.99 85.89 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 127.389 2.93 . . . . 10.0 107.694 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t60 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 114.773 -2.537 . . . . 10.0 112.861 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 . . . . . 0 CA--C 1.499 -1.015 0 CA-C-O 122.051 0.929 . . . . 10.0 112.574 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -89.57 -28.88 19.28 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.316 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -55.55 125.74 22.32 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 127.026 2.703 . . . . 10.0 110.341 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.56 -176.1 29.3 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 113.345 -1.752 . . . . 10.0 113.993 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.82 105.41 12.66 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 113.085 -1.558 . . . . 10.0 109.738 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CH2' HD13 ' A' ' 42' ' ' ILE . 7.2 m0 -96.33 102.22 13.98 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 113.25 -1.796 . . . . 10.0 113.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -93.17 151.97 19.51 Favored 'General case' 0 C--O 1.208 -1.126 0 O-C-N 125.683 1.864 . . . . 10.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.421 ' HE1' ' HE2' ' A' ' 37' ' ' LYS . 3.5 ttp -87.99 151.72 22.57 Favored 'General case' 0 C--O 1.208 -1.124 0 C-N-CA 118.65 -1.22 . . . . 10.0 113.852 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.63 -59.63 1.99 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-N 112.571 -2.104 . . . . 10.0 113.418 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -124.51 144.9 49.85 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 111.954 -2.384 . . . . 10.0 113.564 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.3 121.2 44.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.447 2.967 . . . . 10.0 107.865 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.66 128.83 33.83 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 125.027 1.455 . . . . 10.0 113.941 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.39 11.17 5.3 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 126.886 3.232 . . . . 10.0 114.263 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -55.79 -36.25 67.18 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 117.676 -3.14 . . . . 10.0 115.062 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.23 -40.43 67.77 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-N 113.158 -1.837 . . . . 10.0 111.918 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.46 -27.52 60.62 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.64 1.838 . . . . 10.0 111.566 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CE1' HD12 ' A' ' 23' ' ' LEU . 6.4 t80 -76.8 -27.31 55.17 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 129.035 3.959 . . . . 10.0 113.13 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.04 -36.26 61.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 110.883 -2.871 . . . . 10.0 113.798 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -63.63 -31.97 73.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 111.039 -2.801 . . . . 10.0 114.338 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.77 64.62 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 111.242 -2.708 . . . . 10.0 113.838 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 19' ' ' TYR . 82.4 mt -107.67 20.52 18.72 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 125.647 2.641 . . . . 10.0 115.075 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.16 43.1 29.97 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 112.757 -2.02 . . . . 10.0 114.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.0 t -88.25 126.83 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 C-N-CA 118.475 -1.29 . . . . 10.0 109.089 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -48.85 158.24 0.33 Allowed 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 125.113 2.387 . . . . 10.0 114.826 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.19 -21.38 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 CA-C-N 110.561 -3.018 . . . . 10.0 112.672 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.93 -54.14 6.65 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 111.699 -2.5 . . . . 10.0 111.437 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tp -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 126.061 2.101 . . . . 10.0 114.068 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -76.05 -23.04 55.06 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 110.043 -3.253 . . . . 10.0 111.822 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -32.2 62.96 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 110.973 -2.831 . . . . 10.0 109.3 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.0 mm -78.69 -30.88 15.12 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 O-C-N 126.306 2.254 . . . . 10.0 110.671 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.42 67.72 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 112.281 -2.236 . . . . 10.0 114.657 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.74 -20.75 58.08 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 117.306 -1.757 . . . . 10.0 113.614 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.2 mt -96.08 11.04 35.58 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 124.802 2.239 . . . . 10.0 112.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 129.2 55.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 110.637 -2.983 . . . . 10.0 114.149 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -146.28 60.78 6.52 Favored Pre-proline 0 CA--C 1.507 -0.705 0 CA-C-N 111.468 -2.605 . . . . 10.0 108.558 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 5.5 Cg_endo -66.38 168.63 15.73 Favored 'Trans proline' 0 CA--C 1.512 -0.592 0 O-C-N 126.445 2.813 . . . . 10.0 113.617 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.15 163.5 13.28 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 110.014 -3.266 . . . . 10.0 109.385 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -125.67 131.57 52.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 126.802 2.564 . . . . 10.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.39 118.36 33.64 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.502 -2.59 . . . . 10.0 108.697 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' CH2' ' A' ' 8' ' ' TRP . 17.0 mt -123.52 124.29 69.28 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 O-C-N 125.798 1.936 . . . . 10.0 111.255 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.81 68.43 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 127.149 2.781 . . . . 10.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 49' ' ' MET . 4.6 tt0 -50.73 121.27 5.63 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 125.864 1.978 . . . . 10.0 112.92 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -120.93 86.51 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 127.432 2.957 . . . . 10.0 112.919 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.22 -146.17 28.89 Favored Glycine 0 CA--C 1.494 -1.273 0 CA-C-O 125.203 2.557 . . . . 10.0 110.469 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -55.57 -34.49 64.82 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 111.807 -2.196 . . . . 10.0 108.796 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.32 158.22 19.72 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.07 -1.877 . . . . 10.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.414 ' HA ' ' HA ' ' A' ' 44' ' ' GLN . 1.3 mpp? -135.5 127.05 28.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.838 2.586 . . . . 10.0 109.692 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -101.43 131.6 48.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 CA-C-N 113.89 -1.505 . . . . 10.0 111.894 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.74 126.68 65.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.524 1.765 . . . . 10.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.11 161.57 19.21 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.814 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -148.46 107.63 3.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 110.562 -3.017 . . . . 10.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.83 87.04 2.44 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 123.618 1.675 . . . . 10.0 111.568 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -37.2 9.34 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 111.881 -2.418 . . . . 10.0 113.42 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 92.94 -7.93 0.16 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 127.678 3.111 . . . . 10.0 111.29 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.509 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 t80 -78.77 -20.12 50.62 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 112.634 -2.075 . . . . 10.0 112.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.89 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.355 0.819 0 O-C-N 127.619 3.074 . . . . 10.0 114.196 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 77.56 153.48 0.14 Allowed 'General case' 0 CA--C 1.494 -1.207 1 O-C-N 130.185 4.678 . . . . 10.0 113.519 177.148 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -170.16 101.19 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 125.472 2.558 . . . . 10.0 114.208 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.3 mm -96.28 161.67 2.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-N 111.831 -2.44 . . . . 10.0 108.388 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 -69.17 0.25 Allowed 'General case' 0 C--O 1.211 -0.951 0 O-C-N 126.068 2.105 . . . . 10.0 111.369 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 76.71 104.31 0.07 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.505 -2.589 . . . . 10.0 109.737 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.98 153.12 22.97 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 113.743 -1.572 . . . . 10.0 114.792 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -132.87 111.96 11.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 113.545 -1.661 . . . . 10.0 109.134 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.07 148.93 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 126.265 2.228 . . . . 10.0 110.743 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.68 21.99 7.76 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-N 113.677 -1.601 . . . . 10.0 114.562 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -132.63 154.16 50.36 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 124.26 1.981 . . . . 10.0 111.615 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 84' ' ' THR . 22.4 tp10 -96.36 151.77 19.22 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.005 -2.362 . . . . 10.0 109.924 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.43 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 9.9 p90 -167.9 160.83 12.59 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.204 -1.816 . . . . 10.0 110.113 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -74.09 155.77 38.13 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.875 -2.875 . . . . 10.0 109.965 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -118.6 51.81 1.08 Allowed 'General case' 0 C--O 1.208 -1.091 0 O-C-N 127.786 3.179 . . . . 10.0 114.233 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.7 116.41 2.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 110.745 -2.934 . . . . 10.0 107.742 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 80' ' ' ARG . 1.7 mt -111.71 9.81 20.95 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 126.849 2.593 . . . . 10.0 113.443 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 m -57.36 127.25 31.02 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 126.027 2.079 . . . . 10.0 107.558 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.03 14.95 Favored Glycine 0 C--O 1.222 -0.651 0 O-C-N 125.777 1.923 . . . . 10.0 109.174 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.84 -70.16 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 127.751 2.677 . . . . 10.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -137.96 20.87 2.84 Favored 'General case' 0 C--O 1.207 -1.144 0 O-C-N 125.193 1.558 . . . . 10.0 113.698 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 41.2 85.49 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 125.273 1.608 . . . . 10.0 114.679 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.9 mmp_? -148.06 156.06 42.2 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 111.673 -2.512 . . . . 10.0 111.204 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -140.56 100.86 3.97 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 109.936 -3.302 . . . . 10.0 111.594 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.25 167.97 20.89 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 114.402 -1.272 . . . . 10.0 112.766 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 140.61 29.85 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 126.089 2.118 . . . . 10.0 111.577 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.43 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 95.2 m -131.57 129.18 40.63 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 112.253 -2.249 . . . . 10.0 113.951 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 151.85 38.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 111.563 -2.562 . . . . 10.0 108.681 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.1 t -133.14 127.66 54.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.03 0 CA-C-N 113.569 -1.65 . . . . 10.0 108.452 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -133.23 141.79 48.22 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 110.082 -3.236 . . . . 10.0 112.281 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.498 ' CZ2' HD12 ' A' ' 93' ' ' LEU . 25.5 m95 -79.75 113.29 17.79 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.755 2.534 . . . . 10.0 113.34 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -40.97 18.95 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-O 124.565 2.126 . . . . 10.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.88 107.22 1.16 Allowed Glycine 0 C--O 1.208 -1.497 0 CA-C-N 110.92 -2.855 . . . . 10.0 110.705 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.9 m-20 61.4 21.43 12.0 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 126.006 1.651 . . . . 10.0 112.449 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 92.79 0.81 Allowed 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.305 2.253 . . . . 10.0 111.312 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.498 HD12 ' CZ2' ' A' ' 88' ' ' TRP . 4.7 tp -55.42 110.43 0.69 Allowed 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 127.906 3.254 . . . . 10.0 112.479 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -111.03 125.17 53.46 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 114.495 1.294 . . . . 10.0 114.495 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.0 m -121.83 137.06 54.92 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 126.8 2.563 . . . . 10.0 109.492 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.5 145.77 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 O-C-N 128.195 3.435 . . . . 10.0 109.705 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 104' ' ' ARG . 27.7 mt-30 -111.57 102.34 10.68 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 128.095 3.372 . . . . 10.0 108.848 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -36.8 -38.28 0.17 Allowed 'General case' 0 C--O 1.21 -1.02 0 O-C-N 129.063 3.977 . . . . 10.0 112.446 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -9.28 -101.41 0.0 OUTLIER Glycine 0 CA--C 1.5 -0.894 1 O-C-N 130.744 5.028 . . . . 10.0 115.395 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -174.97 -46.39 0.01 OUTLIER 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.187 0.517 . . . . 10.0 111.855 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.427 ' CA ' ' HE3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -40.05 130.13 2.13 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 125.99 2.056 . . . . 10.0 112.735 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.83 109.53 18.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.37 -1.286 . . . . 10.0 110.331 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.39 -16.01 7.15 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.363 -1.744 . . . . 10.0 109.214 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.402 ' HB3' ' HB2' ' A' ' 97' ' ' GLN . 2.7 mtt180 -63.85 128.17 34.61 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 113.556 -1.322 . . . . 10.0 110.706 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.15 110.97 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 113.336 -1.756 . . . . 10.0 112.566 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -66.13 160.14 24.68 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 124.454 2.074 . . . . 10.0 114.333 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.28 142.8 22.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.397 -3.092 . . . . 10.0 108.536 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.24 -170.22 2.21 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 110.433 -3.076 . . . . 10.0 111.924 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -163.81 -63.85 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 123.635 1.683 . . . . 10.0 113.431 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.467 ' CG1' HD13 ' A' ' 115' ' ' LEU . 42.1 mt 70.81 106.93 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-N 113.622 -1.626 . . . . 10.0 110.997 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.08 -32.15 8.84 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 111.311 -2.677 . . . . 10.0 114.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.66 110.95 3.47 Favored Glycine 0 C--O 1.22 -0.746 0 O-C-N 128.05 3.344 . . . . 10.0 109.999 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 75.61 35.16 0.55 Allowed 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.291 2.995 . . . . 10.0 110.047 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 154.94 126.52 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.749 1 O-C-N 129.736 4.398 . . . . 10.0 111.912 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -111.23 166.91 10.69 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 126.242 2.214 . . . . 10.0 107.173 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -151.8 103.41 2.93 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 127.87 3.231 . . . . 10.0 111.325 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.44 136.09 44.65 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 126.702 2.501 . . . . 10.0 108.866 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -109.53 85.51 2.12 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 125.515 1.76 . . . . 10.0 111.337 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.9 mtm -74.15 127.21 32.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 O-C-N 125.711 1.882 . . . . 10.0 109.074 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -138.55 150.21 46.11 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.59 -3.005 . . . . 10.0 111.75 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 173.85 122.22 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.158 2.787 . . . . 10.0 110.297 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 79.9 0.37 2.11 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 124.911 1.382 . . . . 10.0 113.579 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 114.61 -1.98 23.34 Favored Glycine 0 C--O 1.218 -0.888 0 O-C-N 126.342 2.276 . . . . 10.0 114.849 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.9 m -88.0 172.8 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-O 124.068 1.889 . . . . 10.0 110.013 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -143.99 87.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 111.017 -2.811 . . . . 10.0 114.071 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.2 129.26 40.87 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 126.678 2.486 . . . . 10.0 109.745 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.21 126.56 39.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 112.07 -2.332 . . . . 10.0 112.862 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.544 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 31.3 mt-30 -116.51 91.96 3.74 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-N 111.463 -2.608 . . . . 10.0 107.919 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.27 90.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 127.103 2.752 . . . . 10.0 108.919 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.544 ' CE2' ' CB ' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -84.81 -175.69 5.89 Favored 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 127.192 2.808 . . . . 10.0 109.576 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -145.63 132.21 19.84 Favored 'General case' 0 CA--C 1.5 -0.97 0 O-C-N 125.723 1.89 . . . . 10.0 111.372 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -83.22 132.91 35.03 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 127.403 2.94 . . . . 10.0 108.991 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.4 t -90.48 -15.79 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 114.703 -1.135 . . . . 10.0 112.102 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.1 t60 . . . . . 0 C--O 1.259 1.571 0 CA-C-O 117.339 -1.315 . . . . 10.0 110.341 -179.856 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--O 1.213 -0.831 0 CA-C-O 121.797 0.808 . . . . 10.0 112.239 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' A' ' 110' ' ' ILE . 6.3 m-85 -78.54 -46.14 20.19 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 111.267 -2.697 . . . . 10.0 109.048 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -40.24 146.17 0.14 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 128.219 3.449 . . . . 10.0 113.104 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.513 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 134.5 -110.57 0.86 Allowed Glycine 0 C--N 1.342 0.894 0 CA-C-N 109.896 -3.32 . . . . 10.0 114.93 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.446 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -153.8 125.44 7.64 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 116.178 -2.209 . . . . 10.0 112.834 -179.689 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.622 ' N ' ' CD2' ' A' ' 8' ' ' TRP 0.277 0.9 OUTLIER -117.87 127.33 53.76 Favored 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 130.505 4.878 . . . . 10.0 113.999 -178.312 . . . . . . . . 5 4 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -133.4 147.95 51.78 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 125.133 1.521 . . . . 10.0 107.543 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttt -76.16 146.48 39.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 123.507 1.623 . . . . 10.0 114.695 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.447 ' CD1' ' HD2' ' A' ' 131' ' ' LYS . 5.3 tp -120.86 -42.14 2.52 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 111.742 -2.481 . . . . 10.0 114.049 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -173.93 171.61 3.63 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 125.687 1.867 . . . . 10.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 137.67 50.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.541 -1.663 . . . . 10.0 108.333 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.69 -54.23 3.86 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 126.029 2.081 . . . . 10.0 113.646 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -152.19 41.19 0.64 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.091 -1.413 . . . . 10.0 110.407 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.434 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -76.09 -23.64 55.0 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-O 122.557 1.17 . . . . 10.0 112.452 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -71.63 -43.26 66.45 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 112.506 -2.134 . . . . 10.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -75.23 -27.18 59.4 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.087 1.422 . . . . 10.0 111.059 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -62.74 -44.51 96.02 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 113.241 -1.799 . . . . 10.0 113.988 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 19.6 mt -60.32 -22.01 62.7 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.546 1.641 . . . . 10.0 113.612 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -33.01 74.93 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 125.874 2.75 . . . . 10.0 114.147 -179.702 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.94 85.46 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.452 -2.158 . . . . 10.0 115.557 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -91.77 14.53 15.12 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.611 1.196 . . . . 10.0 112.662 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 55.43 35.56 25.3 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 124.23 1.967 . . . . 10.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.51 134.49 29.9 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.07 0 CA-C-N 111.655 -2.52 . . . . 10.0 108.044 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -46.58 161.18 0.06 Allowed 'General case' 0 C--O 1.214 -0.795 0 O-C-N 125.918 2.011 . . . . 10.0 114.545 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.16 -32.58 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 0 O-C-N 125.307 1.629 . . . . 10.0 110.215 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.4 73.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 126.232 2.207 . . . . 10.0 114.73 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -31.6 61.07 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-N 113.708 -1.587 . . . . 10.0 112.32 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -75.05 -31.5 61.31 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.489 -1.232 . . . . 10.0 109.461 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -68.19 -39.15 82.57 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.975 -2.375 . . . . 10.0 112.073 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -71.72 -29.28 33.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 CA-C-N 111.316 -2.674 . . . . 10.0 112.524 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.99 63.55 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 111.946 -2.388 . . . . 10.0 114.746 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -66.36 -20.97 66.22 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.881 -1.509 . . . . 10.0 114.154 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.69 -1.19 12.17 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 126.031 2.082 . . . . 10.0 114.182 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -99.82 143.67 29.77 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 126.886 2.616 . . . . 10.0 114.069 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.77 86.06 3.92 Favored Pre-proline 0 C--O 1.209 -1.068 0 O-C-N 126.834 2.584 . . . . 10.0 108.77 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -78.22 173.05 14.44 Favored 'Trans proline' 0 CA--C 1.506 -0.921 0 O-C-N 128.074 3.671 . . . . 10.0 110.544 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.53 138.61 54.51 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 111.655 -2.521 . . . . 10.0 108.964 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -94.48 168.69 10.71 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 114.464 -1.244 . . . . 10.0 110.688 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 24.8 tt0 -151.64 89.5 1.49 Allowed 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 128.674 3.734 . . . . 10.0 111.662 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.475 ' HB ' ' CZ2' ' A' ' 8' ' ' TRP . 23.3 mm -76.81 159.2 5.19 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-O 123.203 1.478 . . . . 10.0 109.934 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.2 t -151.43 90.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-O 123.998 1.856 . . . . 10.0 113.352 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -76.33 126.96 31.93 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 110.774 -2.921 . . . . 10.0 109.723 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -110.48 -71.91 0.74 Allowed 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 124.186 1.946 . . . . 10.0 110.849 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.0 102.71 0.19 Allowed Glycine 0 C--O 1.221 -0.704 0 N-CA-C 108.589 -1.805 . . . . 10.0 108.589 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 82.21 17.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 129.045 3.438 . . . . 10.0 108.751 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -151.71 176.52 11.31 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 125.43 1.706 . . . . 10.0 108.561 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.4 ttm -168.91 122.98 0.84 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-N 110.985 -2.825 . . . . 10.0 114.379 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.82 129.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 O-C-N 126.495 2.372 . . . . 10.0 108.553 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -112.5 112.33 40.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 110.357 -3.11 . . . . 10.0 112.38 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.76 143.19 44.41 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 125.473 2.558 . . . . 10.0 111.574 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -126.41 117.33 22.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 110.995 -2.82 . . . . 10.0 108.086 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.73 105.51 13.12 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.967 -1.924 . . . . 10.0 113.672 -179.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -123.96 179.64 4.76 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 112.852 -1.976 . . . . 10.0 109.531 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -93.4 -10.89 33.65 Favored 'General case' 0 CA--C 1.507 -0.7 0 O-C-N 127.238 2.836 . . . . 10.0 108.78 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -94.17 -28.14 15.82 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.304 -1.358 . . . . 10.0 113.276 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 175.7 156.07 0.2 Allowed 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 124.235 1.969 . . . . 10.0 111.917 179.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -108.5 104.89 14.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.694 -2.957 . . . . 10.0 111.396 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.24 128.98 39.44 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.168 -0.924 . . . . 10.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mm -121.24 162.41 20.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 O-C-N 124.604 1.19 . . . . 10.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.46 129.3 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 114.737 -1.12 . . . . 10.0 109.796 -179.541 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.85 113.95 27.86 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.19 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -97.91 112.0 24.09 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 124.574 2.131 . . . . 10.0 115.278 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -103.96 119.19 38.4 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 112.96 -1.927 . . . . 10.0 108.693 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.83 125.21 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 CA-C-N 111.583 -2.553 . . . . 10.0 114.221 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.56 90.13 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.801 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -106.73 136.88 45.79 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 113.551 -1.324 . . . . 10.0 107.911 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.14 120.61 41.02 Favored 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 127.595 3.059 . . . . 10.0 109.138 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -136.8 161.85 34.85 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 125.935 2.022 . . . . 10.0 112.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.67 149.43 41.94 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 110.883 -2.871 . . . . 10.0 109.086 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -118.31 144.11 46.09 Favored 'General case' 0 C--O 1.209 -1.035 1 O-C-N 129.268 4.105 . . . . 10.0 110.248 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -121.23 95.36 4.66 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 111.332 -2.667 . . . . 10.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.6 mt -94.05 56.23 2.21 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 125.856 1.973 . . . . 10.0 111.204 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.1 p -95.23 119.89 34.52 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 109.419 -3.537 . . . . 10.0 109.096 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.77 -10.7 12.26 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 108.428 -1.869 . . . . 10.0 108.428 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.1 -67.9 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 113.519 -1.34 . . . . 10.0 111.647 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.21 -32.65 5.92 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 127.385 2.928 . . . . 10.0 113.127 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 80.25 79.21 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 124.546 2.117 . . . . 10.0 109.369 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -177.63 176.54 1.24 Allowed 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 112.466 -2.152 . . . . 10.0 109.98 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -138.29 153.81 49.04 Favored 'General case' 0 CA--C 1.497 -1.08 0 C-N-CA 118.16 -1.416 . . . . 10.0 112.25 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 p -144.28 165.89 26.6 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 124.68 2.181 . . . . 10.0 113.08 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.2 mtt -105.7 119.88 40.27 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 111.554 -2.566 . . . . 10.0 109.83 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.01 144.45 35.31 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.417 -1.265 . . . . 10.0 113.568 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.76 123.11 11.62 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.871 3.232 . . . . 10.0 109.622 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 50.0 t -98.85 117.59 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 123.931 1.824 . . . . 10.0 112.776 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 t -130.78 78.0 1.82 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.22 -2.718 . . . . 10.0 111.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.451 ' N ' ' CD1' ' A' ' 88' ' ' TRP . 0.1 OUTLIER -48.07 146.38 2.62 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 110.488 -3.051 . . . . 10.0 110.498 179.894 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.58 96.17 3.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 124.829 2.252 . . . . 10.0 111.866 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.57 -122.17 9.24 Favored Glycine 0 N--CA 1.471 1.016 0 CA-C-N 110.872 -2.876 . . . . 10.0 110.988 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.35 2.94 48.81 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 124.428 1.091 . . . . 10.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -116.29 150.31 37.83 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 124.716 2.198 . . . . 10.0 111.869 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 105.07 11.63 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 112.224 -2.262 . . . . 10.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -97.12 150.32 20.98 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 127.958 3.286 . . . . 10.0 112.891 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.0 m -144.48 121.3 11.25 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 112.982 -1.917 . . . . 10.0 113.438 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.73 136.43 56.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 112.449 -2.16 . . . . 10.0 110.43 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.418 ' HG3' ' HA2' ' A' ' 105' ' ' GLY . 2.9 mt-30 -121.43 137.7 54.6 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 114.777 -1.101 . . . . 10.0 108.968 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -111.46 83.14 1.72 Allowed 'General case' 0 C--O 1.21 -0.997 0 O-C-N 128.233 3.458 . . . . 10.0 112.858 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.61 -68.51 1.31 Allowed Glycine 0 C--O 1.211 -1.329 0 CA-C-N 110.625 -2.989 . . . . 10.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 175.02 -41.85 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 124.71 2.195 . . . . 10.0 110.275 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -75.69 152.47 37.51 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 111.916 -2.402 . . . . 10.0 108.864 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -93.69 146.25 23.98 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 127.138 2.774 . . . . 10.0 112.415 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.66 46.25 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 110.096 -3.229 . . . . 10.0 112.52 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.8 mtp85 -55.6 114.23 1.77 Allowed 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.123 2.308 . . . . 10.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' HA2' ' HG3' ' A' ' 97' ' ' GLN . . . 140.11 146.51 4.85 Favored Glycine 0 C--O 1.219 -0.809 0 N-CA-C 108.346 -1.901 . . . . 10.0 108.346 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.54 168.45 16.37 Favored 'General case' 0 C--O 1.208 -1.129 0 CA-C-O 122.574 1.178 . . . . 10.0 113.703 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.4 m -128.48 146.43 50.82 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 110.389 -3.096 . . . . 10.0 108.993 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.34 134.93 53.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 129.006 3.941 . . . . 10.0 110.344 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -157.88 106.09 2.02 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.574 -2.103 . . . . 10.0 113.462 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 4' ' ' PHE . 2.9 mt -74.94 142.41 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-N 111.157 -2.747 . . . . 10.0 109.923 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -124.08 70.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.084 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.15 -90.64 1.11 Allowed Glycine 0 N--CA 1.471 0.994 0 CA-C-O 123.247 1.471 . . . . 10.0 113.722 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.37 26.14 10.69 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.386 -0.907 . . . . 10.0 109.564 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -138.04 124.54 20.77 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 123.171 1.462 . . . . 10.0 112.436 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.6 tp -96.88 80.38 3.01 Favored 'General case' 0 CA--C 1.493 -1.228 0 CA-C-N 114.546 -1.206 . . . . 10.0 110.802 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 24.1 t60 -90.3 150.64 21.83 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 125.634 2.635 . . . . 10.0 114.523 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -153.01 151.82 30.7 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 111.988 -2.369 . . . . 10.0 110.192 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -112.56 116.52 30.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.531 -1.668 . . . . 10.0 110.126 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 mtt -102.25 159.43 15.41 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 113.995 -1.457 . . . . 10.0 108.589 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -155.18 139.33 16.52 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 113.819 -1.537 . . . . 10.0 111.705 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -158.55 115.57 2.82 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.066 2.104 . . . . 10.0 113.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 63.45 25.84 14.65 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.402 -3.09 . . . . 10.0 114.032 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.35 59.74 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 118.711 -1.709 . . . . 10.0 112.928 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.4 t -104.23 138.34 29.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -105.98 131.57 53.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 124.528 1.143 . . . . 10.0 113.145 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.96 127.05 9.06 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 125.591 1.807 . . . . 10.0 109.314 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 111.52 11.99 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 125.896 1.998 . . . . 10.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -76.2 145.84 39.54 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 112.429 -2.169 . . . . 10.0 107.701 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.79 84.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 O-C-N 126.744 2.527 . . . . 10.0 113.413 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -81.48 149.75 28.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 110.757 -2.929 . . . . 10.0 108.529 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.447 ' HD2' ' CD1' ' A' ' 11' ' ' LEU . 8.1 mttt -113.33 139.59 48.73 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 127.518 3.011 . . . . 10.0 112.577 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -80.85 122.91 27.8 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 112.432 -2.167 . . . . 10.0 111.218 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -95.64 -7.89 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 113.142 -1.845 . . . . 10.0 109.329 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.235 -1.348 . . . . 10.0 111.947 -179.783 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 CA--C 1.51 -0.579 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -112.89 2.54 15.91 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.658 1.355 . . . . 10.0 114.658 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -69.61 131.94 45.42 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 117.927 -1.509 . . . . 10.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.36 -170.69 39.64 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 117.774 -2.155 . . . . 10.0 111.693 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -115.63 91.02 3.47 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 128.024 2.838 . . . . 10.0 108.415 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 130' ' ' PHE . 5.3 m0 -86.65 151.93 23.01 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.314 -1.766 . . . . 10.0 109.004 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt 173.93 157.53 0.14 Allowed 'General case' 0 C--O 1.213 -0.851 0 O-C-N 127.452 2.97 . . . . 10.0 113.76 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.405 ' HB3' ' HG3' ' A' ' 131' ' ' LYS . 8.9 ttm 65.98 86.67 0.13 Allowed 'General case' 0 CA--C 1.497 -1.076 0 CA-C-O 124.563 2.125 . . . . 10.0 115.362 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -112.39 101.68 9.86 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.355 -2.202 . . . . 10.0 109.836 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t -48.74 94.93 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 111.514 -2.585 . . . . 10.0 109.632 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LEU . 32.4 m120 -44.71 131.68 6.76 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.415 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -148.96 111.67 4.8 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 127.159 2.787 . . . . 10.0 111.214 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 61.53 23.42 13.7 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-O 125.112 2.387 . . . . 10.0 110.328 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.53 -39.33 62.42 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 109.295 -3.593 . . . . 10.0 113.565 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HB2' ' HG3' ' A' ' 30' ' ' ARG . 7.6 pt-20 -79.9 -29.98 39.99 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 113.346 -1.752 . . . . 10.0 109.409 -179.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -74.49 -20.27 60.06 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 124.461 2.077 . . . . 10.0 110.523 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -78.06 -24.43 47.71 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 111.618 -2.537 . . . . 10.0 112.79 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 89.9 mt -73.43 -26.62 61.03 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.872 -1.058 . . . . 10.0 112.931 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.58 -23.0 58.68 Favored 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.377 2.923 . . . . 10.0 112.622 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -27.08 64.73 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.634 1.683 . . . . 10.0 111.296 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.62 8.97 33.39 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 113.843 -1.526 . . . . 10.0 113.664 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 51.92 64.82 1.7 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 114.05 -1.432 . . . . 10.0 114.386 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -112.7 152.43 14.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 114.788 -1.096 . . . . 10.0 109.237 179.812 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -34.45 134.67 0.2 Allowed 'General case' 0 N--CA 1.474 0.748 1 O-C-N 130.027 4.579 . . . . 10.0 111.532 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -22.29 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 O-C-N 126.856 2.597 . . . . 10.0 113.801 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.26 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 110.549 -3.023 . . . . 10.0 113.231 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -23.88 63.49 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 125.048 2.356 . . . . 10.0 113.032 179.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 2.0 ttt180 -79.8 -28.09 40.27 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 111.548 -2.569 . . . . 10.0 110.497 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.24 67.02 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 125.181 2.42 . . . . 10.0 114.239 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.494 HG22 ' CZ ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -74.69 -35.23 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-N 111.362 -2.654 . . . . 10.0 114.172 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -27.1 66.22 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.151 -2.295 . . . . 10.0 114.986 -179.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.57 -24.25 63.67 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 123.475 1.607 . . . . 10.0 112.169 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.05 17.64 17.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 123.172 1.463 . . . . 10.0 113.285 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 tp -101.03 92.06 4.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.983 -1.917 . . . . 10.0 114.028 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -103.22 109.27 61.33 Favored Pre-proline 0 N--CA 1.476 0.858 0 CA-C-N 110.723 -2.944 . . . . 10.0 106.632 179.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.283 0.0 OUTLIER -112.25 -168.13 0.02 OUTLIER 'Trans proline' 0 CA--C 1.492 -1.579 0 C-N-CA 121.698 1.599 . . . . 10.0 114.732 -178.59 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -133.55 170.63 15.23 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 112.461 -2.154 . . . . 10.0 108.015 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -146.53 142.02 27.6 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 112.183 -2.28 . . . . 10.0 111.498 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.93 92.5 3.55 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.401 -2.181 . . . . 10.0 111.728 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.526 HD12 ' CE3' ' A' ' 8' ' ' TRP . 1.4 mp -95.51 135.05 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-N 111.534 -2.575 . . . . 10.0 109.744 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.8 101.08 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 O-C-N 128.168 3.418 . . . . 10.0 113.147 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -96.97 116.85 29.93 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 122.033 0.92 . . . . 10.0 112.549 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.14 -10.16 16.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 113.212 -1.813 . . . . 10.0 111.55 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.05 118.54 3.83 Favored Glycine 0 N--CA 1.446 -0.672 0 O-C-N 126.329 2.268 . . . . 10.0 109.08 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 60.22 27.83 17.37 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 127.5 2.53 . . . . 10.0 108.046 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -170.59 129.11 0.82 Allowed 'General case' 0 C--O 1.209 -1.04 0 O-C-N 127.392 2.932 . . . . 10.0 111.236 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -143.93 106.97 4.5 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 113.649 -1.614 . . . . 10.0 112.954 179.646 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.36 110.72 20.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 123.617 1.675 . . . . 10.0 109.746 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mt -101.78 111.04 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 CA-C-O 124.527 2.108 . . . . 10.0 108.603 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -110.39 119.4 39.07 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-N 112.961 -1.927 . . . . 10.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -107.2 121.48 44.62 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 111.573 -2.558 . . . . 10.0 108.67 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.8 mt -112.23 64.38 0.63 Allowed 'General case' 0 C--O 1.211 -0.957 0 CA-C-O 123.484 1.612 . . . . 10.0 114.458 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.3 p -68.16 -18.11 64.52 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 113.347 -1.751 . . . . 10.0 110.401 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m 63.62 19.42 11.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.699 -1.137 . . . . 10.0 109.525 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 32' ' ' ILE . 3.0 t80 -120.23 1.81 10.82 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 126.902 2.626 . . . . 10.0 113.328 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 170.67 -32.27 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.167 0 O-C-N 126.974 2.672 . . . . 10.0 113.026 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m120 71.63 99.88 0.07 Allowed 'General case' 0 CA--C 1.495 -1.154 2 O-C-N 131.208 5.317 . . . . 10.0 114.464 176.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -115.39 141.29 48.24 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 118.795 -1.162 . . . . 10.0 110.185 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mp -144.19 152.62 15.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 114.389 -1.278 . . . . 10.0 112.494 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 mtm -153.57 158.4 41.15 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.456 2.973 . . . . 10.0 110.213 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.87 39.1 2.09 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 111.707 -2.497 . . . . 10.0 113.456 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -27.34 110.33 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 128.702 3.751 . . . . 10.0 114.245 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.64 136.05 54.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.98 1.847 . . . . 10.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.78 131.51 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.136 0 CA-C-N 110.231 -3.168 . . . . 10.0 113.424 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.45 29.36 60.53 Favored Glycine 0 C--O 1.209 -1.447 0 CA-C-N 114.857 -1.065 . . . . 10.0 113.933 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -93.69 -45.68 7.59 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.754 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 78.52 106.17 0.07 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 127.424 2.953 . . . . 10.0 109.5 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 18.6 p90 -141.82 172.56 12.52 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 112.031 -2.349 . . . . 10.0 113.608 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -91.78 132.05 36.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 124.217 1.961 . . . . 10.0 110.506 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -106.3 80.06 1.45 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 112.051 -2.34 . . . . 10.0 111.068 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.89 113.52 2.83 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 123.234 1.492 . . . . 10.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 tp -102.31 61.47 0.85 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 124.67 2.176 . . . . 10.0 111.775 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 143.35 30.09 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 110.513 -3.04 . . . . 10.0 109.001 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.11 -3.47 64.41 Favored Glycine 0 C--O 1.209 -1.439 0 O-C-N 126.836 2.585 . . . . 10.0 108.741 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.25 -67.29 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 112.059 -2.071 . . . . 10.0 108.786 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -140.55 9.42 2.23 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 113.577 -1.647 . . . . 10.0 114.735 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 45.08 75.75 0.1 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 124.455 2.074 . . . . 10.0 111.345 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -152.43 128.71 10.54 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 112.658 -2.065 . . . . 10.0 108.729 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -102.51 131.9 48.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 126.218 2.199 . . . . 10.0 108.721 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.6 m -143.01 134.16 25.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 127.415 2.947 . . . . 10.0 114.938 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.42 ' HB2' ' CB ' ' A' ' 98' ' ' LYS . 19.9 mtt -69.09 159.33 33.09 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 112.677 -2.056 . . . . 10.0 108.769 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 159.57 42.57 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 127.442 2.964 . . . . 10.0 114.076 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.05 158.4 36.4 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.31 -1.768 . . . . 10.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -140.24 116.36 8.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.087 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.2 m -126.96 101.85 6.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 112.216 -2.266 . . . . 10.0 111.896 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 165.58 22.02 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 126.197 2.186 . . . . 10.0 112.233 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.86 -51.48 2.36 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 108.896 -3.774 . . . . 10.0 109.727 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.76 -92.51 0.08 OUTLIER Glycine 0 C--O 1.209 -1.432 0 CA-C-N 111.859 -2.428 . . . . 10.0 113.702 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -44.29 96.9 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 123.65 1.691 . . . . 10.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 176.32 5.86 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 112.821 -1.991 . . . . 10.0 111.245 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.2 122.18 7.07 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 110.778 -2.919 . . . . 10.0 108.461 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.41 167.97 15.49 Favored 'General case' 0 CA--C 1.495 -1.157 0 O-C-N 128.849 3.843 . . . . 10.0 110.658 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.53 176.65 8.43 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.542 -2.572 . . . . 10.0 111.436 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.3 t -151.98 139.59 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 O-C-N 127.744 3.153 . . . . 10.0 109.002 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 104' ' ' ARG . 71.3 mt-30 -107.2 126.52 52.51 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 111.873 -2.421 . . . . 10.0 108.705 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.42 ' CB ' ' HB2' ' A' ' 83' ' ' MET . 46.7 mttt -104.97 81.55 1.75 Allowed 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 111.387 -2.642 . . . . 10.0 112.139 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.24 -103.87 1.94 Allowed Glycine 0 C--N 1.348 1.202 0 CA-C-N 110.26 -3.155 . . . . 10.0 113.874 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -161.03 -45.11 0.04 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 111.514 -2.343 . . . . 10.0 114.979 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -98.68 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 124.226 0.954 . . . . 10.0 111.474 179.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -178.18 166.85 1.96 Allowed 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 122.979 1.371 . . . . 10.0 112.593 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.13 38.51 67.0 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 109.563 -3.472 . . . . 10.0 114.567 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.436 ' CB ' ' HB2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -95.98 153.89 17.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.414 ' HA2' ' HG3' ' A' ' 97' ' ' GLN . . . 109.26 165.49 20.31 Favored Glycine 0 CA--C 1.493 -1.291 0 O-C-N 127.372 2.92 . . . . 10.0 109.536 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.62 2.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 123.593 1.663 . . . . 10.0 111.722 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 38.1 m -158.37 135.1 9.64 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.244 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -110.82 144.76 39.32 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 113.811 -1.54 . . . . 10.0 108.213 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -158.74 95.8 1.33 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.022 -2.353 . . . . 10.0 112.983 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.431 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 6.4 mt -62.69 132.76 28.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 128.42 3.575 . . . . 10.0 113.197 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -141.12 81.56 1.79 Allowed 'General case' 0 C--O 1.219 -0.538 0 O-C-N 126.516 2.385 . . . . 10.0 114.085 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.18 -122.59 9.87 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 113.626 -1.625 . . . . 10.0 110.208 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.88 21.43 10.59 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 123.084 1.421 . . . . 10.0 112.376 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.52 123.05 11.08 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 113.348 -1.751 . . . . 10.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 2.3 tm? -92.67 133.76 35.69 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -98.37 107.83 20.39 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 128.081 3.363 . . . . 10.0 111.947 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 128' ' ' GLN . 17.7 tp -112.46 134.32 54.05 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 112.245 -2.252 . . . . 10.0 114.524 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.45 106.08 6.88 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 113.772 -1.558 . . . . 10.0 110.322 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 mtt -107.39 124.24 49.54 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 112.771 -2.013 . . . . 10.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -112.13 162.65 15.2 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 125.415 1.697 . . . . 10.0 108.834 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 179.82 116.49 0.05 Allowed 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 125.618 1.824 . . . . 10.0 114.373 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.29 23.38 5.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 127.645 3.091 . . . . 10.0 114.215 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.43 8.64 59.67 Favored Glycine 0 CA--C 1.501 -0.816 0 CA-C-O 123.092 1.384 . . . . 10.0 112.667 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.32 133.64 66.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-O 122.64 1.21 . . . . 10.0 108.442 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.422 HG23 ' HE3' ' A' ' 127' ' ' LYS . 95.4 m -99.56 124.56 44.87 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 113.752 -1.567 . . . . 10.0 113.55 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.65 136.3 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 128.182 3.426 . . . . 10.0 108.717 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.422 ' HE3' HG23 ' A' ' 125' ' ' THR . 0.9 OUTLIER -133.94 143.73 48.39 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-O 123.011 1.386 . . . . 10.0 112.806 179.794 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 117' ' ' LEU . 11.6 mp0 -127.8 145.25 50.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.408 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.02 62.71 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.096 0 O-C-N 127.234 2.834 . . . . 10.0 114.047 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -55.65 139.93 42.99 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.759 -2.473 . . . . 10.0 111.371 -179.482 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' HG3' ' HB3' ' A' ' 10' ' ' MET 0.27 1.6 mmpt? -104.06 122.35 45.1 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 109.466 -3.516 . . . . 10.0 112.841 -179.833 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -81.49 113.64 19.68 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 128.14 3.4 . . . . 10.0 110.109 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 22.2 t -84.01 -51.13 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 111.632 -2.531 . . . . 10.0 112.351 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--O 1.259 1.572 0 O-C-N 124.765 1.291 . . . . 10.0 113.18 179.98 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 4.8 p-10 . . . . . 0 C--O 1.212 -0.876 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -76.17 -55.1 5.89 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 126.844 2.59 . . . . 10.0 108.778 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 47.0 t-20 -45.62 144.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.807 0 O-C-N 127.703 3.127 . . . . 10.0 113.151 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.514 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 138.0 -108.71 0.64 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 111.75 -2.477 . . . . 10.0 115.08 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.509 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -157.62 128.51 6.56 Favored 'General case' 0 C--O 1.209 -1.063 0 C-N-CA 116.244 -2.183 . . . . 10.0 112.896 -179.285 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.635 ' N ' ' CD2' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -127.45 105.28 8.4 Favored 'General case' 0 CA--C 1.502 -0.879 1 O-C-N 130.69 4.994 . . . . 10.0 113.704 -177.667 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -114.53 139.75 49.32 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 118.383 -1.327 . . . . 10.0 107.745 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttm -73.0 139.98 47.02 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.302 2.251 . . . . 10.0 111.981 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -112.63 -43.51 3.46 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 113.372 -1.74 . . . . 10.0 114.558 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -147.58 164.62 32.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 125.889 1.993 . . . . 10.0 113.571 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -125.44 121.13 32.92 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 128.115 3.384 . . . . 10.0 110.334 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -121.86 126.7 49.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.213 -1.812 . . . . 10.0 109.497 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 58.63 30.25 19.63 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 111.429 -2.623 . . . . 10.0 112.997 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE2' HD13 ' A' ' 20' ' ' LEU . 32.0 t80 -76.9 -26.22 53.91 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 112.415 -2.175 . . . . 10.0 113.231 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.74 -35.75 38.33 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 112.305 -2.225 . . . . 10.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.16 -31.26 60.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.977 -1.465 . . . . 10.0 113.005 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -75.18 -29.44 60.38 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 110.923 -2.853 . . . . 10.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD13 ' CE2' ' A' ' 16' ' ' PHE . 11.8 mt -73.23 -27.23 61.48 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.308 -2.678 . . . . 10.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -22.26 57.65 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 110.524 -3.034 . . . . 10.0 109.832 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.68 -25.57 67.39 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.914 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.53 5.97 23.64 Favored 'General case' 0 CA--C 1.494 -1.199 0 O-C-N 126.927 2.642 . . . . 10.0 112.562 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.53 42.38 27.38 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 123.381 1.563 . . . . 10.0 114.783 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.37 128.76 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 111.286 -2.688 . . . . 10.0 112.069 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -47.42 154.37 0.43 Allowed 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.785 3.178 . . . . 10.0 113.364 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 t -66.9 -28.98 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.016 0 O-C-N 126.814 2.571 . . . . 10.0 115.356 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.48 -34.92 65.58 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 124.334 2.016 . . . . 10.0 113.779 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.0 -33.74 44.68 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 112.139 -2.3 . . . . 10.0 114.769 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -22.2 59.86 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.85 1.786 . . . . 10.0 111.988 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -75.67 -48.06 23.64 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 109.684 -3.416 . . . . 10.0 110.043 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.497 HG22 ' CE2' ' A' ' 57' ' ' PHE . 9.6 mt -65.77 -37.81 80.79 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 125.481 1.738 . . . . 10.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.5 -20.14 60.75 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 125.924 2.015 . . . . 10.0 113.82 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -65.44 -29.65 70.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 111.179 -2.737 . . . . 10.0 113.8 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.74 8.4 22.49 Favored 'General case' 0 C--O 1.209 -1.075 0 O-C-N 126.261 2.225 . . . . 10.0 111.265 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.02 130.75 48.66 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-N 111.203 -2.726 . . . . 10.0 113.441 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.29 79.32 37.05 Favored Pre-proline 0 CA--C 1.501 -0.915 0 CA-C-O 124.167 1.937 . . . . 10.0 109.32 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.484 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 5.2 Cg_endo -66.05 134.4 36.79 Favored 'Trans proline' 0 C--O 1.211 -0.861 0 CA-C-N 110.932 -2.203 . . . . 10.0 113.362 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.14 135.13 33.99 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 109.298 -3.592 . . . . 10.0 107.279 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -89.98 175.12 7.31 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 125.894 1.996 . . . . 10.0 114.053 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.594 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mt-10 -151.29 95.03 2.1 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 128.667 3.729 . . . . 10.0 112.935 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' A' ' 8' ' ' TRP . 3.5 mp -86.46 153.43 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.035 0 CA-C-O 124.189 1.947 . . . . 10.0 109.058 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 80.1 t -139.74 84.76 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 CA-C-O 125.322 2.487 . . . . 10.0 111.267 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -74.07 111.66 9.45 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 111.799 -2.455 . . . . 10.0 112.832 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -141.29 74.39 1.46 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 111.539 -2.573 . . . . 10.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.78 -145.45 21.74 Favored Glycine 0 C--O 1.209 -1.457 0 CA-C-N 110.89 -2.868 . . . . 10.0 114.36 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -42.31 -42.63 3.2 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 111.261 -2.47 . . . . 10.0 113.972 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -103.61 171.61 7.26 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 125.196 2.427 . . . . 10.0 114.4 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.8 ttp -143.55 141.92 30.89 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 110.437 -3.074 . . . . 10.0 108.49 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.7 mt -129.83 120.08 49.09 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.015 0 O-C-N 127.147 2.779 . . . . 10.0 111.922 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -100.19 120.29 49.43 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 1 O-C-N 129.837 4.461 . . . . 10.0 112.182 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -111.27 133.33 53.68 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 128.067 3.354 . . . . 10.0 109.466 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 m -112.86 109.03 18.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 111.866 -2.425 . . . . 10.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -100.77 93.69 5.69 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 126.522 2.389 . . . . 10.0 109.574 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -116.17 -8.28 11.77 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 113.912 -1.495 . . . . 10.0 113.827 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 79.07 -62.48 0.31 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 128.211 3.444 . . . . 10.0 108.465 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CE2' HG22 ' A' ' 32' ' ' ILE . 4.2 m-85 -45.54 -39.91 8.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 127.035 2.709 . . . . 10.0 107.894 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -165.69 150.22 8.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 110.154 -3.203 . . . . 10.0 113.2 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -106.22 124.05 48.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.284 -2.235 . . . . 10.0 111.92 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -128.45 120.37 26.75 Favored 'General case' 0 C--O 1.209 -1.047 0 O-C-N 125.372 1.67 . . . . 10.0 113.613 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.49 151.38 15.35 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 O-C-N 126.281 2.238 . . . . 10.0 112.856 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.1 mtp -148.53 116.76 6.47 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 126.407 2.317 . . . . 10.0 108.28 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.27 96.71 10.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 111.672 -2.513 . . . . 10.0 109.212 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -99.3 103.02 14.82 Favored 'General case' 0 CA--C 1.502 -0.873 0 O-C-N 126.674 2.484 . . . . 10.0 113.655 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -99.84 91.31 4.77 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 126.949 2.656 . . . . 10.0 107.937 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -40.42 107.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 CA-C-N 111.917 -2.402 . . . . 10.0 114.301 -179.731 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 4.92 28.55 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 111.293 -2.685 . . . . 10.0 113.457 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.93 141.07 52.14 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.062 -2.069 . . . . 10.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -97.73 119.41 36.26 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 124.897 2.284 . . . . 10.0 110.579 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.41 156.57 35.2 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 110.939 -2.846 . . . . 10.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.16 108.12 19.55 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 110.314 -3.13 . . . . 10.0 110.681 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.4 mt-10 -83.55 113.41 20.8 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 113.314 -1.767 . . . . 10.0 114.154 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.56 116.71 32.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.182 2.176 . . . . 10.0 109.597 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 14.7 mt -102.28 54.55 0.79 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.365 -2.198 . . . . 10.0 114.328 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -76.57 -12.03 59.96 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 126.882 2.614 . . . . 10.0 112.305 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.71 14.77 56.18 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 110.492 -3.049 . . . . 10.0 108.978 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 74' ' ' LEU . 70.4 mt -133.93 -66.45 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.029 0 O-C-N 126.515 1.95 . . . . 10.0 109.655 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -165.16 53.69 0.11 Allowed 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.805 -1.089 . . . . 10.0 109.824 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.8 p30 11.91 75.08 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.928 1 O-C-N 130.01 4.569 . . . . 10.0 114.78 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.71 120.03 28.42 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 110.053 -3.249 . . . . 10.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.38 125.06 50.73 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.934 2.646 . . . . 10.0 113.581 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -144.77 171.36 14.53 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 110.685 -2.961 . . . . 10.0 108.75 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.8 mtt -102.36 126.74 49.47 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 123.981 0.8 . . . . 10.0 110.147 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.7 m -119.85 141.87 49.16 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 112.776 -2.011 . . . . 10.0 113.819 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -125.74 163.23 23.3 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.374 -1.284 . . . . 10.0 110.525 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.8 t -138.84 135.49 42.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-O 125.145 2.403 . . . . 10.0 114.307 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -124.93 154.52 41.02 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 109.93 -3.304 . . . . 10.0 111.045 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -121.21 107.92 13.15 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 126.853 2.596 . . . . 10.0 107.993 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.93 -13.99 16.7 Favored 'General case' 0 C--O 1.212 -0.918 0 O-C-N 126.928 2.643 . . . . 10.0 113.253 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.68 -133.11 3.94 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 124.525 1.141 . . . . 10.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -56.65 -43.91 80.78 Favored 'General case' 0 CA--C 1.494 -1.173 0 CA-C-O 126.104 2.859 . . . . 10.0 110.406 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -90.95 128.01 36.62 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 110.908 -2.86 . . . . 10.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.1 127.97 55.73 Favored 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.956 3.285 . . . . 10.0 109.617 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -137.85 158.2 44.85 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.498 1.124 . . . . 10.0 108.545 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 171.77 9.89 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 112.476 -2.147 . . . . 10.0 112.676 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.99 123.26 10.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 127.517 3.011 . . . . 10.0 108.332 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.8 119.81 32.74 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 127.548 3.03 . . . . 10.0 113.488 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -67.77 -174.59 0.46 Allowed 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.06 -2.336 . . . . 10.0 111.495 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 156.44 -145.85 12.9 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 112.893 -1.958 . . . . 10.0 113.31 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.99 28.92 2.3 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 127.513 2.537 . . . . 10.0 114.747 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -131.47 -144.55 0.25 Allowed 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 111.542 -2.572 . . . . 10.0 108.84 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -133.63 142.65 48.18 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 124.615 2.15 . . . . 10.0 111.792 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.76 -85.11 0.69 Allowed Glycine 0 C--O 1.212 -1.251 0 CA-C-N 113.314 -1.767 . . . . 10.0 112.841 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 27.02 89.91 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 O-C-N 129.977 3.986 . . . . 10.0 113.619 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 149.45 8.01 Favored Glycine 0 N--CA 1.465 0.616 0 O-C-N 125.643 1.839 . . . . 10.0 109.033 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.8 149.33 50.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.064 1.345 . . . . 10.0 114.105 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -138.97 137.51 36.45 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 126.141 2.15 . . . . 10.0 109.252 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.426 ' HG3' ' CD1' ' A' ' 117' ' ' LEU . 28.0 mt-30 -120.93 148.17 44.43 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 126.445 3.022 . . . . 10.0 112.801 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -166.05 99.12 0.64 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 112.697 -2.047 . . . . 10.0 112.481 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 mt -63.81 135.67 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 127.043 2.715 . . . . 10.0 109.605 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.75 -59.12 1.8 Allowed 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.471 1.732 . . . . 10.0 113.411 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.45 -76.01 0.02 OUTLIER Glycine 0 N--CA 1.463 0.439 0 CA-C-N 111.895 -2.412 . . . . 10.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.44 19.74 14.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 124.86 2.267 . . . . 10.0 108.75 -179.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -133.62 144.98 49.59 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.623 -1.626 . . . . 10.0 109.784 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.98 47.92 0.87 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 128.016 3.322 . . . . 10.0 112.189 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -23.55 124.41 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.885 3.866 . . . . 10.0 114.137 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 13.2 tp -141.67 143.35 33.55 Favored 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 125.699 1.875 . . . . 10.0 113.941 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -134.16 111.88 10.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 110.108 -3.224 . . . . 10.0 113.636 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.41 ' HB2' ' HB3' ' A' ' 126' ' ' CYS . 4.0 mtm -109.89 137.83 47.11 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 124.576 1.172 . . . . 10.0 109.69 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 128.44 32.14 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 112.638 -2.073 . . . . 10.0 112.239 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.36 136.7 8.72 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 125.236 1.585 . . . . 10.0 113.656 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.64 20.4 10.33 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.88 -1.963 . . . . 10.0 113.771 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.05 21.3 65.73 Favored Glycine 0 C--O 1.211 -1.314 0 CA-C-N 112.261 -2.245 . . . . 10.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.2 t -113.34 111.66 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.849 -0.797 . . . . 10.0 108.849 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.1 m -87.33 118.59 26.87 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 128.062 3.351 . . . . 10.0 109.527 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 119' ' ' MET . 12.3 t -116.15 149.65 38.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 124.624 2.154 . . . . 10.0 110.034 179.818 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -143.39 139.74 30.13 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 111.426 -2.625 . . . . 10.0 112.777 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -133.54 128.02 34.39 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.821 -1.082 . . . . 10.0 111.656 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.71 100.25 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 O-C-N 127.334 2.896 . . . . 10.0 114.588 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -84.52 175.6 9.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 127.092 2.745 . . . . 10.0 108.657 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 2.1 tptm -146.38 113.02 5.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 125.864 1.977 . . . . 10.0 114.192 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 113.73 15.73 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 112.447 -2.16 . . . . 10.0 111.424 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.81 -11.72 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 O-C-N 126.141 2.15 . . . . 10.0 113.455 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--O 1.249 1.078 0 O-C-N 127.083 2.739 . . . . 10.0 110.535 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 113.888 1.07 . . . . 10.0 113.888 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 110' ' ' ILE . 16.9 m-30 -98.63 -9.34 24.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 126.621 2.45 . . . . 10.0 112.685 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -60.59 164.31 4.67 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 126.392 2.308 . . . . 10.0 112.711 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.95 -164.74 12.14 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 107.555 -2.218 . . . . 10.0 107.555 -179.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 41' ' ' GLU . 2.4 m-85 -115.49 159.79 20.74 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 110.717 -2.741 . . . . 10.0 110.092 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.6 ' CA ' ' HG2' ' A' ' 132' ' ' LYS . 22.1 m95 -141.2 99.5 3.59 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 110.192 -3.186 . . . . 10.0 113.822 179.129 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -98.49 144.25 28.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 116.905 -1.918 . . . . 10.0 108.006 178.82 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.475 ' HA ' ' CD2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.36 176.69 0.33 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 124.667 2.175 . . . . 10.0 113.863 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.29 -58.87 0.45 Allowed 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 110.056 -3.247 . . . . 10.0 110.461 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.33 163.47 3.76 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 112.014 -2.357 . . . . 10.0 111.7 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -112.03 -177.18 3.11 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 123.592 1.663 . . . . 10.0 113.961 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -175.83 106.16 0.08 Allowed 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 114.403 -1.271 . . . . 10.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t30 77.62 25.05 0.73 Allowed 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.916 -1.947 . . . . 10.0 110.105 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -68.18 -39.22 82.58 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 114.073 -1.421 . . . . 10.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -44.92 73.53 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 112.029 -2.35 . . . . 10.0 113.987 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -20.5 63.88 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 126.28 2.238 . . . . 10.0 114.352 -179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.95 -38.23 57.77 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.606 2.146 . . . . 10.0 111.365 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HB3' HG12 ' A' ' 25' ' ' VAL . 7.9 mt -66.11 -36.94 84.49 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 110.943 -2.844 . . . . 10.0 114.248 -179.776 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -21.82 66.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.86 1.43 . . . . 10.0 114.86 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.14 -22.77 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 126.379 2.299 . . . . 10.0 113.067 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 ' HD3' ' A' ' 80' ' ' ARG . 24.0 mt -103.83 3.35 33.8 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 126.7 2.5 . . . . 10.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 64.82 29.02 12.78 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 127.861 3.226 . . . . 10.0 112.699 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 HG12 ' HB3' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -51.97 147.59 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.348 2.905 . . . . 10.0 112.508 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.47 157.18 24.06 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 121.742 0.782 . . . . 10.0 112.422 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.33 -38.57 82.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 124.918 1.287 . . . . 10.0 112.637 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.01 97.77 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 123.528 1.632 . . . . 10.0 114.852 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -24.73 62.26 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-N 111.119 -2.764 . . . . 10.0 111.977 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -79.96 -30.45 39.84 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 114.709 -1.132 . . . . 10.0 111.863 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -78.71 -34.3 46.09 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 127.657 3.098 . . . . 10.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -74.54 -31.75 28.28 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.158 0 CA-C-N 114.711 -1.131 . . . . 10.0 109.477 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.11 60.67 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 124.083 1.897 . . . . 10.0 113.299 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.72 -34.7 78.42 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 110.305 -3.134 . . . . 10.0 113.664 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -94.82 0.08 54.56 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 113.255 -1.793 . . . . 10.0 112.176 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.66 126.11 55.02 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 113.848 -1.524 . . . . 10.0 112.663 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -133.18 65.55 73.43 Favored Pre-proline 0 C--O 1.219 -0.539 0 CA-C-N 113.369 -1.741 . . . . 10.0 108.564 -179.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.08 164.2 17.62 Favored 'Trans proline' 0 CA--C 1.501 -1.139 0 C-N-CA 122.913 2.409 . . . . 10.0 114.007 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.17 126.37 53.57 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 126.434 2.334 . . . . 10.0 109.948 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.47 141.5 28.69 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 124.881 2.277 . . . . 10.0 111.306 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 12.1 tt0 -130.96 120.44 23.54 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.697 -2.501 . . . . 10.0 109.243 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 8' ' ' TRP . 14.2 mt -113.86 139.98 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.751 -2.477 . . . . 10.0 111.83 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 t -127.68 115.61 40.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 113.501 -1.681 . . . . 10.0 109.409 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -99.81 120.72 40.2 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -115.67 10.27 15.45 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 126.351 2.977 . . . . 10.0 111.477 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.62 -109.56 2.4 Favored Glycine 0 C--O 1.214 -1.146 0 CA-C-N 112.2 -2.273 . . . . 10.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -59.02 -42.06 89.26 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.868 -1.166 . . . . 10.0 109.392 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -86.7 158.61 19.39 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 126.52 2.388 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.5 ttm -166.69 130.7 2.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.444 2.965 . . . . 10.0 110.569 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.1 tt -113.59 151.18 15.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 113.107 -1.86 . . . . 10.0 109.676 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 119.33 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.804 0 CA-C-N 110.088 -3.233 . . . . 10.0 110.176 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -99.87 176.18 5.53 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 124.42 1.075 . . . . 10.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -163.67 83.28 0.46 Allowed 'General case' 0 C--O 1.209 -1.071 0 O-C-N 128.327 3.517 . . . . 10.0 108.395 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -79.13 89.27 4.83 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 109.191 -3.641 . . . . 10.0 114.158 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 p -121.35 126.09 48.6 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 111.974 -2.375 . . . . 10.0 108.831 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.99 79.75 0.65 Allowed 'General case' 0 C--O 1.22 -0.493 0 O-C-N 125.233 1.583 . . . . 10.0 109.647 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.534 ' CE2' ' CB ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 173.27 -39.46 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 127.862 3.227 . . . . 10.0 111.201 -179.774 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' PHE . 29.8 ttm-85 -164.72 90.62 0.54 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 126.365 2.291 . . . . 10.0 114.098 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -64.53 124.88 22.98 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.332 -2.667 . . . . 10.0 107.155 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -91.94 -74.29 0.52 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 124.664 2.173 . . . . 10.0 115.268 -178.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 55.82 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.405 1 CA-C-N 108.38 -4.009 . . . . 10.0 112.987 -175.043 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.0 ptm 176.37 136.57 0.06 Allowed 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.793 -2.458 . . . . 10.0 111.861 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.47 117.53 30.03 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 112.521 -2.127 . . . . 10.0 114.754 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.65 176.97 5.45 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 123.633 1.682 . . . . 10.0 109.858 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -155.28 133.22 11.45 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 112.023 -2.353 . . . . 10.0 109.324 179.735 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.91 128.37 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-O 124.822 2.249 . . . . 10.0 109.642 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.22 -28.5 4.19 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.441 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 6.9 mtmt -80.68 161.39 24.65 Favored 'General case' 0 C--O 1.208 -1.121 0 N-CA-C 113.94 1.089 . . . . 10.0 113.94 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -120.94 116.78 25.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 127.629 3.08 . . . . 10.0 110.109 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 17.7 p90 -136.44 150.56 48.79 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.446 2.341 . . . . 10.0 114.35 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -65.69 148.95 50.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 112.138 -2.301 . . . . 10.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -129.15 158.57 38.61 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 126.839 2.587 . . . . 10.0 112.654 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.78 21.75 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.443 -2.162 . . . . 10.0 110.75 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.406 ' CB ' ' HG2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -109.45 55.87 0.63 Allowed 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.588 2.43 . . . . 10.0 112.442 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 t -99.0 127.24 44.88 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 124.127 1.918 . . . . 10.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.25 -13.94 8.34 Favored Glycine 0 C--O 1.21 -1.383 0 CA-C-N 111.419 -2.628 . . . . 10.0 108.966 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 mt -113.46 -61.13 2.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 110.785 -2.707 . . . . 10.0 110.688 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -166.2 29.01 0.04 OUTLIER 'General case' 0 C--N 1.345 0.37 0 C-N-CA 117.939 -1.504 . . . . 10.0 113.463 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 22.91 86.52 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.433 0 O-C-N 127.66 3.1 . . . . 10.0 114.338 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HG2' ' CB ' ' A' ' 74' ' ' LEU . 17.5 ptt85 -140.68 52.93 1.61 Allowed 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 114.529 -1.214 . . . . 10.0 112.071 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -48.56 120.64 3.86 Favored 'General case' 0 CA--C 1.518 -0.273 0 O-C-N 128.097 3.373 . . . . 10.0 111.582 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.56 -178.14 5.04 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 113.16 -1.837 . . . . 10.0 108.682 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtt -102.89 141.04 36.37 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 112.183 -2.28 . . . . 10.0 107.863 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.6 m -130.63 147.62 52.33 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 125.964 2.04 . . . . 10.0 111.683 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 m -145.34 140.93 28.07 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.947 -1.933 . . . . 10.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.48 130.84 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 CA-C-O 126.962 3.268 . . . . 10.0 112.057 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.93 -175.65 4.04 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 111.209 -2.723 . . . . 10.0 109.433 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 136.39 44.55 Favored 'General case' 0 CA--C 1.505 -0.779 0 O-C-N 126.879 2.612 . . . . 10.0 112.27 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -19.95 33.26 Favored 'General case' 0 CA--C 1.5 -0.981 0 CA-C-N 112.311 -2.222 . . . . 10.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.35 -70.43 0.46 Allowed Glycine 0 N--CA 1.47 0.962 0 CA-C-N 112.372 -2.195 . . . . 10.0 111.113 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -95.36 -54.34 3.44 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 112.51 -1.845 . . . . 10.0 108.567 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -89.29 153.45 20.88 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 126.646 2.466 . . . . 10.0 111.048 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.48 127.19 52.87 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 110.681 -2.963 . . . . 10.0 110.055 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 129.1 51.89 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 125.81 1.944 . . . . 10.0 111.691 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 t -111.58 102.57 10.89 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.371 3.544 . . . . 10.0 113.103 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 p -100.2 153.99 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 O-C-N 125.537 1.773 . . . . 10.0 112.919 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -119.03 164.74 15.04 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 114.127 -1.397 . . . . 10.0 109.056 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.57 44.05 1.13 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.58 146.3 18.83 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 118.487 -1.816 . . . . 10.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.16 -32.77 49.47 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 124.478 2.085 . . . . 10.0 110.121 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -63.37 160.51 15.91 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 110.525 -3.034 . . . . 10.0 111.713 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.54 146.41 40.51 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 113.347 -1.751 . . . . 10.0 113.653 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.47 -94.5 0.09 OUTLIER Glycine 0 C--N 1.348 1.196 0 CA-C-N 111.809 -2.451 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.59 25.12 4.62 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.56 -1.82 . . . . 10.0 111.086 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.35 141.11 13.09 Favored Glycine 0 N--CA 1.465 0.57 0 CA-C-O 124.923 2.402 . . . . 10.0 112.161 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -100.04 178.76 4.7 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.45 -2.375 . . . . 10.0 112.839 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.6 m -163.91 118.9 1.55 Allowed 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.393 -1.73 . . . . 10.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 162.45 18.58 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 125.703 2.668 . . . . 10.0 109.391 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -148.08 -53.01 0.19 Allowed 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.538 -3.028 . . . . 10.0 114.337 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 4' ' ' PHE . 3.3 mt 73.91 145.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 125.987 2.055 . . . . 10.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -155.26 80.07 1.05 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 123.762 1.744 . . . . 10.0 109.186 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.91 -112.09 3.82 Favored Glycine 0 N--CA 1.474 1.189 0 N-CA-C 107.379 -2.288 . . . . 10.0 107.379 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.4 14.0 14.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 123.185 1.469 . . . . 10.0 113.275 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -110.92 108.44 18.22 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.144 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.496 HD13 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -79.2 110.55 14.56 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.162 1.934 . . . . 10.0 111.788 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -98.35 91.37 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 110.816 -2.902 . . . . 10.0 109.846 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 118' ' ' GLU . 4.8 tp -112.56 131.39 55.63 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 127.191 2.807 . . . . 10.0 112.573 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' N ' HD11 ' A' ' 117' ' ' LEU . 97.8 mt-10 -119.79 110.42 16.76 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 112.881 -1.963 . . . . 10.0 107.879 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 21.3 mtp -103.33 163.57 12.18 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 113.607 -1.633 . . . . 10.0 114.267 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -150.23 152.62 34.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 111.024 -2.807 . . . . 10.0 108.968 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 179.27 114.72 0.04 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 113.254 -1.794 . . . . 10.0 112.307 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.8 3.75 4.25 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 128.127 3.392 . . . . 10.0 113.088 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 104.94 17.7 13.8 Favored Glycine 0 N--CA 1.467 0.765 0 O-C-N 126.723 2.515 . . . . 10.0 111.307 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.69 119.82 58.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 CA-C-O 124.967 2.318 . . . . 10.0 109.961 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.7 m -91.55 126.6 36.69 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 125.121 2.391 . . . . 10.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.35 144.52 40.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 112.846 -1.979 . . . . 10.0 110.821 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -131.19 148.7 52.74 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 124.084 1.897 . . . . 10.0 110.692 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -124.22 136.95 54.54 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 112.6 -2.091 . . . . 10.0 108.888 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.1 t -117.35 127.44 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.023 0 CA-C-O 125.14 2.4 . . . . 10.0 113.538 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 10' ' ' MET . 66.8 m-85 -118.19 152.91 34.77 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.735 -2.029 . . . . 10.0 109.167 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -155.12 86.46 1.1 Allowed 'General case' 0 C--O 1.207 -1.161 0 O-C-N 125.46 1.725 . . . . 10.0 107.129 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.6 ' HG2' ' CA ' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -68.62 -147.37 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 O-C-N 129.805 4.441 . . . . 10.0 115.412 -178.772 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.523 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 1.0 OUTLIER -150.09 -49.08 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.128 0 CA-C-N 115.239 -0.891 . . . . 10.0 113.01 -175.067 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 134' ' ' HIS . 12.7 m-70 . . . . . 0 C--O 1.257 1.477 0 CA-C-O 118.001 -1.0 . . . . 10.0 111.968 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 CA--C 1.512 -0.509 0 N-CA-C 113.965 1.098 . . . . 10.0 113.965 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -89.89 -18.14 26.71 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 127.56 3.038 . . . . 10.0 110.174 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.91 151.78 11.08 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 125.629 1.83 . . . . 10.0 111.212 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.11 -165.86 16.88 Favored Glycine 0 C--O 1.214 -1.126 0 CA-C-N 113.392 -1.731 . . . . 10.0 109.785 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -116.35 134.1 55.26 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-N 113.752 -1.224 . . . . 10.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.3 m95 -132.29 113.2 12.94 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 125.298 1.624 . . . . 10.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -100.77 149.95 23.3 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 149.1 48.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.094 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.56 -56.53 2.33 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 124.978 2.323 . . . . 10.0 114.491 -179.473 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 p -141.88 178.63 7.37 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 110.965 -2.834 . . . . 10.0 109.195 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -132.28 158.64 41.32 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 111.32 -2.673 . . . . 10.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.39 109.58 1.13 Allowed 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 126.029 2.081 . . . . 10.0 113.358 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 23.95 3.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 126.997 2.685 . . . . 10.0 110.181 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -74.76 -40.57 61.15 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 112.876 -1.965 . . . . 10.0 111.962 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.22 -38.39 87.81 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.839 3.212 . . . . 10.0 113.571 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -28.43 62.39 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 179.65 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.49 -29.57 64.97 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.653 2.47 . . . . 10.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.0 mt -77.38 -33.69 55.14 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.726 1.891 . . . . 10.0 112.854 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -31.1 72.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.729 1.252 . . . . 10.0 113.721 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.0 89.91 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 109.994 -3.276 . . . . 10.0 113.376 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.2 1.08 54.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 113.332 -1.758 . . . . 10.0 110.475 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 56.21 65.48 1.42 Allowed 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 114.34 -1.3 . . . . 10.0 113.138 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.44 138.41 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 111.383 -2.644 . . . . 10.0 108.482 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -52.65 152.11 3.92 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 125.212 1.57 . . . . 10.0 113.936 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.66 -26.15 34.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-O 124.393 2.044 . . . . 10.0 113.559 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.34 60.47 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 110.219 -3.173 . . . . 10.0 110.178 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 tt -75.88 -26.02 56.66 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 110.683 -2.962 . . . . 10.0 109.547 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -79.09 -25.35 43.07 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-N 114.568 -1.196 . . . . 10.0 111.487 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -75.49 -39.77 58.13 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.663 -2.062 . . . . 10.0 109.317 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.4 mt -73.91 -29.19 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-N 111.516 -2.584 . . . . 10.0 112.196 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.69 61.2 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 125.263 1.602 . . . . 10.0 112.158 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -22.98 66.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.309 1.596 . . . . 10.0 115.309 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.48 35.19 4.91 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 112.433 -2.167 . . . . 10.0 111.622 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD21 ' CB ' ' A' ' 57' ' ' PHE . 1.1 tp -124.2 117.24 24.15 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 110.669 -2.969 . . . . 10.0 109.723 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -141.21 67.11 25.86 Favored Pre-proline 0 CA--C 1.5 -0.968 0 O-C-N 127.583 3.052 . . . . 10.0 112.622 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -52.82 164.77 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.31 2.673 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.03 112.17 15.57 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 110.418 -3.083 . . . . 10.0 111.49 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.53 146.29 29.29 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 110.931 -2.85 . . . . 10.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -133.01 104.93 6.78 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 111.478 -2.601 . . . . 10.0 108.726 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.2 mm -91.24 142.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 127.441 2.963 . . . . 10.0 110.766 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.65 49.42 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 O-C-N 126.357 2.285 . . . . 10.0 111.185 -179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 103.77 0.07 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.858 -2.883 . . . . 10.0 114.148 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -115.61 74.31 0.88 Allowed 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 126.166 2.166 . . . . 10.0 113.573 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.37 -121.89 6.39 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 126.779 2.549 . . . . 10.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -26.04 56.83 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 125.799 2.714 . . . . 10.0 114.142 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.65 146.48 25.28 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.17 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.2 ptm -152.68 144.0 23.25 Favored 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.069 3.356 . . . . 10.0 108.409 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.6 mt -118.38 112.55 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-O 125.247 2.451 . . . . 10.0 114.537 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mt -94.86 90.67 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-N 110.424 -3.08 . . . . 10.0 110.479 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.13 167.09 14.79 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 112.502 -2.136 . . . . 10.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.3 m -159.87 86.2 0.77 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.133 1.521 . . . . 10.0 109.05 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.7 mt -90.06 112.52 24.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.025 2.078 . . . . 10.0 113.487 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -155.7 142.12 18.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 111.517 -2.583 . . . . 10.0 109.824 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -63.28 -17.21 62.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 111.175 -2.739 . . . . 10.0 113.877 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.4 ' CB ' HD21 ' A' ' 36' ' ' LEU . 19.6 t80 -81.08 -55.64 4.63 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.145 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -164.75 123.09 1.73 Allowed 'General case' 0 C--N 1.352 0.707 0 CA-C-N 112.595 -2.093 . . . . 10.0 114.792 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.23 171.65 13.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 116.798 -1.961 . . . . 10.0 107.204 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -133.33 -72.47 0.5 Allowed 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 125.311 2.481 . . . . 10.0 114.426 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp 63.6 143.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.489 1 CA-C-N 108.307 -4.042 . . . . 10.0 110.854 -176.027 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 mtt -129.11 -52.6 1.2 Allowed 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 113.106 -1.861 . . . . 10.0 115.294 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.13 61.56 0.74 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 114.711 -1.131 . . . . 10.0 108.603 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -69.37 166.62 18.24 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 112.366 -2.197 . . . . 10.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.48 101.7 2.03 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 125.214 1.571 . . . . 10.0 107.951 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -54.28 123.0 4.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 CA-C-N 113.779 -1.555 . . . . 10.0 112.215 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.42 19.56 41.2 Favored Glycine 0 C--O 1.207 -1.547 0 O-C-N 126.029 2.081 . . . . 10.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.39 139.98 50.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 123.223 1.487 . . . . 10.0 113.261 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -106.6 136.99 45.43 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 124.749 2.214 . . . . 10.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -163.19 153.92 16.5 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 124.859 2.266 . . . . 10.0 110.304 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -54.02 160.19 1.58 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 111.318 -2.674 . . . . 10.0 111.826 -179.763 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 71' ' ' GLU . 8.4 tp10 -148.68 104.82 3.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.279 2.237 . . . . 10.0 112.161 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -103.16 117.43 34.52 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 111.143 -2.753 . . . . 10.0 110.423 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD11 ' HG3' ' A' ' 72' ' ' GLU . 5.9 mp -103.21 46.37 0.92 Allowed 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.833 2.583 . . . . 10.0 112.624 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -92.05 118.7 31.05 Favored 'General case' 0 CA--C 1.495 -1.148 0 O-C-N 126.303 2.252 . . . . 10.0 109.487 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.73 -16.22 7.88 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 113.47 -1.696 . . . . 10.0 109.829 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -105.01 -63.49 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 110.916 -2.642 . . . . 10.0 110.012 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 6.25 2.69 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.539 -2.119 . . . . 10.0 114.534 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.72 82.26 0.11 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 122.95 1.357 . . . . 10.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.02 -174.52 4.97 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.177 -3.192 . . . . 10.0 113.696 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.74 123.66 0.54 Allowed 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 124.332 2.015 . . . . 10.0 112.669 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.7 m -144.48 -175.21 4.55 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 113.82 -1.536 . . . . 10.0 110.024 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.6 mtp -118.68 144.9 45.9 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 127.353 2.908 . . . . 10.0 108.181 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.8 166.32 21.07 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 125.141 2.401 . . . . 10.0 113.696 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -158.26 149.78 21.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 110.754 -2.93 . . . . 10.0 111.636 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.77 143.04 35.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 CA-C-N 111.223 -2.717 . . . . 10.0 108.649 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 m -148.08 84.31 1.52 Allowed 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 114.022 -1.445 . . . . 10.0 113.719 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -56.27 133.32 52.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.933 2.646 . . . . 10.0 108.623 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.3 89.17 2.21 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 124.334 1.054 . . . . 10.0 112.594 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.91 -121.04 5.76 Favored Glycine 0 C--O 1.209 -1.449 0 O-C-N 126.598 2.436 . . . . 10.0 114.118 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -100.24 17.37 21.5 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 112.531 -1.834 . . . . 10.0 114.474 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -133.58 -179.21 5.38 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 125.945 2.783 . . . . 10.0 110.189 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.6 tt -157.04 114.63 3.14 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 124.933 2.301 . . . . 10.0 112.61 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.17 141.31 43.26 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.943 -1.935 . . . . 10.0 111.891 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.2 m -115.5 89.63 3.15 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 123.916 1.817 . . . . 10.0 110.052 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -89.6 137.15 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 113.995 -1.457 . . . . 10.0 109.064 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.95 146.13 44.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.146 -1.388 . . . . 10.0 109.753 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.32 74.83 0.9 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.582 1.176 . . . . 10.0 109.099 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.79 -161.96 19.08 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-O 125.534 2.741 . . . . 10.0 109.502 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -105.7 119.95 40.44 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 112.091 -2.054 . . . . 10.0 107.53 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.739 ' CG ' ' N ' ' A' ' 102' ' ' GLU . 1.9 ttmt 62.11 169.67 0.12 Allowed 'General case' 0 C--O 1.206 -1.187 0 O-C-N 128.58 3.675 . . . . 10.0 108.012 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.739 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 2.1 mt-10 80.64 108.31 0.07 Allowed 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.366 4.792 . . . . 10.0 108.005 176.514 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -28.77 -43.95 0.04 OUTLIER Glycine 0 N--CA 1.473 1.117 1 O-C-N 131.465 5.478 . . . . 10.0 106.944 178.236 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 104' ' ' ARG . 0.1 OUTLIER 52.0 170.52 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.966 0 O-C-N 127.472 2.513 . . . . 10.0 115.991 177.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.83 111.4 3.18 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 110.317 -3.129 . . . . 10.0 114.358 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -106.47 119.7 39.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 111.301 -2.45 . . . . 10.0 107.459 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 p -112.07 160.69 17.27 Favored 'General case' 0 CA--C 1.494 -1.202 0 O-C-N 126.662 2.476 . . . . 10.0 114.041 -179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -144.28 129.68 18.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 111.548 -2.569 . . . . 10.0 112.385 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 9.0 t90 -152.82 87.87 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 110.392 -3.095 . . . . 10.0 113.258 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.62 144.41 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 O-C-N 127.719 3.137 . . . . 10.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -152.86 78.33 1.18 Allowed 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 123.75 1.738 . . . . 10.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.88 -128.75 9.61 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 110.317 -3.129 . . . . 10.0 109.225 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 6.57 39.67 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 112.63 -1.785 . . . . 10.0 112.996 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -117.05 146.74 42.9 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 113.633 -1.621 . . . . 10.0 108.209 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.519 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 1.3 tt -103.03 92.21 4.45 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.123 -1.853 . . . . 10.0 112.784 179.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.54 149.28 25.88 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 111.695 -2.502 . . . . 10.0 109.655 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.8 tp -157.62 128.53 6.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 113.195 -1.821 . . . . 10.0 113.89 -179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -117.96 84.46 2.17 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 126.618 2.449 . . . . 10.0 114.406 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.0 mtp -76.43 119.27 20.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 112.867 -1.969 . . . . 10.0 111.311 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -115.65 138.91 50.61 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 125.699 1.875 . . . . 10.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.38 140.61 11.49 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 112.543 -2.117 . . . . 10.0 108.456 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.44 ' CG ' ' HG3' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 47.15 28.56 0.98 Allowed 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 123.51 1.624 . . . . 10.0 113.92 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.91 78.97 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 112.41 -2.177 . . . . 10.0 114.791 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.5 126.39 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.474 ' CG2' ' HE2' ' A' ' 127' ' ' LYS . 18.5 m -84.58 131.01 34.66 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 126.445 2.341 . . . . 10.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 135.35 34.95 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.612 1.195 . . . . 10.0 108.87 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.474 ' HE2' ' CG2' ' A' ' 125' ' ' THR . 0.0 OUTLIER -121.4 123.8 42.99 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 114.893 -1.049 . . . . 10.0 112.814 179.802 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.97 86.3 2.48 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 123.78 1.752 . . . . 10.0 107.76 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.72 124.65 14.42 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 108.968 -3.742 . . . . 10.0 111.227 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.16 160.15 16.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.061 -1.427 . . . . 10.0 110.075 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -145.58 107.45 4.3 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 124.303 2.002 . . . . 10.0 111.046 -179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 4.0 tttm -52.25 130.78 31.62 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.372 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.04 -59.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-N 112.815 -1.993 . . . . 10.0 113.212 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.827 0 CA-C-N 114.008 -1.451 . . . . 10.0 113.058 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.489 1.223 0 CA-C-O 125.683 2.285 . . . . 10.0 109.78 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.59 123.46 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 111.431 -2.622 . . . . 10.0 109.132 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.44 88.98 1.6 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 111.923 -2.399 . . . . 10.0 109.71 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . 48.7 m-85 -68.09 -33.41 74.48 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.215 -1.811 . . . . 10.0 115.095 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -55.04 87.46 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 124.632 2.158 . . . . 10.0 114.263 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -168.62 -154.58 9.0 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 113.035 -1.893 . . . . 10.0 110.075 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.92 130.09 46.32 Favored 'General case' 0 CA--C 1.498 -1.051 0 O-C-N 125.802 1.53 . . . . 10.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CD2' HD13 ' A' ' 115' ' ' LEU . 8.8 m95 -136.35 124.85 23.52 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 113.243 -1.799 . . . . 10.0 114.942 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -111.46 144.87 39.98 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.443 0.64 . . . . 10.0 110.075 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 ttp -78.4 137.69 38.13 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-O 122.626 1.203 . . . . 10.0 110.727 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -56.09 3.22 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 112.736 -2.029 . . . . 10.0 113.65 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.6 -172.21 4.16 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 112.48 -2.146 . . . . 10.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -155.75 133.62 11.27 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.815 -2.448 . . . . 10.0 108.766 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.25 -17.28 14.92 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.984 -2.825 . . . . 10.0 112.555 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -144.4 32.34 1.2 Allowed 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' HB2' ' CB ' ' A' ' 13' ' ' ASN . 19.1 t80 -74.97 -23.53 58.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 113.726 -1.579 . . . . 10.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.66 -44.09 24.59 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.13 -1.396 . . . . 10.0 113.497 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -70.78 -29.67 65.93 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 112.655 -2.066 . . . . 10.0 112.71 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -77.71 -23.47 49.46 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 111.873 -2.421 . . . . 10.0 111.476 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.66 -28.23 51.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 125.706 2.67 . . . . 10.0 109.027 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 -26.03 61.36 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.633 -2.985 . . . . 10.0 112.821 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 -30.29 66.46 Favored 'General case' 0 CA--C 1.499 -0.983 0 O-C-N 125.272 1.608 . . . . 10.0 112.711 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -101.26 5.96 42.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.913 -1.949 . . . . 10.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 50.26 63.26 2.27 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 111.651 -2.522 . . . . 10.0 114.627 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.86 141.14 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.552 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.38 160.73 0.23 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 112.9 -1.955 . . . . 10.0 111.408 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.34 -24.44 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 124.323 2.011 . . . . 10.0 112.803 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.04 -46.31 24.19 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.1 1.905 . . . . 10.0 111.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -30.18 71.36 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 113.096 -1.866 . . . . 10.0 114.88 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 12.9 ttm105 -72.16 -32.31 66.74 Favored 'General case' 0 CA--C 1.497 -1.078 0 O-C-N 127.767 3.167 . . . . 10.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.22 62.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.788 -2.46 . . . . 10.0 114.538 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -74.26 -43.74 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 O-C-N 127.977 3.298 . . . . 10.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.72 -20.55 65.02 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 126.392 2.307 . . . . 10.0 114.564 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -70.17 -37.98 75.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.436 -1.256 . . . . 10.0 113.682 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.55 -15.82 47.79 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 127.159 2.787 . . . . 10.0 108.747 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mp -91.18 150.43 21.37 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 125.626 2.631 . . . . 10.0 109.776 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.19 76.15 1.01 Allowed Pre-proline 0 C--O 1.216 -0.66 0 CA-C-N 110.889 -2.869 . . . . 10.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -44.74 143.64 4.05 Favored 'Trans proline' 0 CA--C 1.497 -1.359 0 O-C-N 126.85 3.026 . . . . 10.0 113.285 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.27 117.02 32.97 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 127.022 2.701 . . . . 10.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -89.87 132.31 35.35 Favored 'General case' 0 C--O 1.209 -1.067 0 O-C-N 125.847 1.967 . . . . 10.0 113.359 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 99.8 5.89 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 110.672 -2.967 . . . . 10.0 108.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 3.2 mp -84.6 144.79 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-N 113.269 -1.787 . . . . 10.0 110.581 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.06 90.88 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 112.02 -2.355 . . . . 10.0 110.038 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -76.49 137.79 39.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.347 1.459 . . . . 10.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -160.6 72.41 0.46 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 124.092 1.901 . . . . 10.0 111.501 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.59 7.51 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 114.18 -1.373 . . . . 10.0 112.58 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.89 -5.64 59.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 127.285 2.403 . . . . 10.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 112.41 -2.177 . . . . 10.0 110.031 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.72 123.58 23.88 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 127.36 2.913 . . . . 10.0 111.565 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 mt -108.48 132.49 56.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 127.543 3.027 . . . . 10.0 109.967 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mt -111.36 104.37 16.96 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 111.906 -2.406 . . . . 10.0 109.556 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -72.24 159.86 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 124.238 1.97 . . . . 10.0 112.438 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.8 m -156.72 104.56 2.16 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 113.208 -1.814 . . . . 10.0 107.414 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.24 97.84 5.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 127.589 3.056 . . . . 10.0 111.698 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 5.28 24.84 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 110.81 -2.905 . . . . 10.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.79 18.63 10.86 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.383 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.14 -57.3 2.1 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.775 -1.557 . . . . 10.0 108.657 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -158.58 124.24 4.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 124.493 2.092 . . . . 10.0 109.069 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -79.23 125.44 29.47 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 112.995 -1.911 . . . . 10.0 112.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -135.01 87.95 2.38 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.477 -2.147 . . . . 10.0 111.443 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.9 mp -93.84 145.45 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 CA-C-N 112.727 -2.033 . . . . 10.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.3 mtt -130.17 158.68 39.04 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 127.144 2.777 . . . . 10.0 109.556 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.14 94.75 4.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.967 1.365 . . . . 10.0 109.046 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -86.62 102.0 13.77 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 111.712 -2.494 . . . . 10.0 111.724 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -89.16 96.05 10.56 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 126.285 2.241 . . . . 10.0 109.071 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -53.92 116.13 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 O-C-N 125.394 1.684 . . . . 10.0 114.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.55 61.84 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 127.225 2.828 . . . . 10.0 112.983 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.97 155.04 21.33 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.549 1.381 . . . . 10.0 114.575 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -90.04 149.79 22.37 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 124.47 1.106 . . . . 10.0 113.973 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 37.7 p90 -161.77 143.52 11.33 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 126.402 2.314 . . . . 10.0 111.455 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.48 162.21 26.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.548 3.03 . . . . 10.0 109.121 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -154.14 95.1 1.8 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 123.565 1.65 . . . . 10.0 114.352 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -79.8 109.75 14.51 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 111.296 -2.684 . . . . 10.0 108.804 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt -86.92 24.19 1.56 Allowed 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 125.55 1.781 . . . . 10.0 115.303 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -70.76 114.56 8.96 Favored 'General case' 0 CA--C 1.5 -0.946 0 O-C-N 121.062 -1.024 . . . . 10.0 108.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.35 -20.56 4.42 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 124.141 1.967 . . . . 10.0 109.381 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 77' ' ' ILE . 4.0 mp -100.45 -69.66 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 109.608 -3.296 . . . . 10.0 107.484 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.14 22.18 0.96 Allowed 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 127.383 2.927 . . . . 10.0 113.547 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 52.2 78.75 0.12 Allowed 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 113.153 -1.84 . . . . 10.0 113.672 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.09 166.57 24.31 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 112.583 -2.099 . . . . 10.0 109.46 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -148.24 133.81 18.75 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 126.452 2.345 . . . . 10.0 108.2 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 19.4 p -163.14 -176.03 4.63 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 124.22 1.962 . . . . 10.0 113.234 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.9 mtt -115.03 127.31 55.57 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 111.472 -2.604 . . . . 10.0 108.46 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.4 m -126.76 145.72 50.5 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.926 -1.488 . . . . 10.0 113.975 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.89 159.12 42.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.576 -1.193 . . . . 10.0 108.679 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.1 t -137.32 135.56 47.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 CA-C-O 124.786 2.231 . . . . 10.0 110.011 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -125.9 167.59 15.04 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 112.044 -2.344 . . . . 10.0 115.007 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -124.47 75.08 1.37 Allowed 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.542 3.026 . . . . 10.0 111.933 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -49.58 5.49 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.18 2.8 . . . . 10.0 110.452 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.08 -117.99 0.42 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-O 123.891 1.828 . . . . 10.0 110.97 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -74.75 -13.66 60.62 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 113.569 -1.315 . . . . 10.0 110.347 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -110.2 170.6 7.97 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 126.469 2.356 . . . . 10.0 111.575 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 tp -114.92 143.2 45.53 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.834 3.209 . . . . 10.0 109.017 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -140.94 124.91 17.17 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.75 -1.18 . . . . 10.0 112.058 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.32 133.16 56.29 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 126.405 3.003 . . . . 10.0 107.987 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.36 137.08 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 111.56 -2.563 . . . . 10.0 111.032 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HB3' ' HG2' ' A' ' 104' ' ' ARG . 22.2 tt0 -113.1 126.82 55.88 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 113.338 -1.756 . . . . 10.0 108.889 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -94.43 49.46 1.28 Allowed 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 125.79 1.931 . . . . 10.0 110.766 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.35 -146.14 18.9 Favored Glycine 0 C--O 1.21 -1.399 0 CA-C-O 124.497 2.165 . . . . 10.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -173.29 2.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 112.047 -2.076 . . . . 10.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm 69.44 -171.27 0.18 Allowed 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 126.318 2.261 . . . . 10.0 108.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -138.75 89.38 2.36 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.323 -2.217 . . . . 10.0 113.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 163.66 -36.19 0.31 Allowed Glycine 0 C--N 1.353 1.518 0 CA-C-N 109.254 -3.612 . . . . 10.0 112.159 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.464 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.42 93.96 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 127.263 3.411 . . . . 10.0 112.549 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.85 95.55 0.1 OUTLIER Glycine 0 C--N 1.348 1.197 0 CA-C-N 111.159 -2.746 . . . . 10.0 108.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.542 ' CZ2' H203 ' A' ' 135' ' ' RTL . 2.3 m0 -65.66 162.51 18.29 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 125.649 2.643 . . . . 10.0 115.409 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -149.54 145.66 26.96 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 110.272 -3.149 . . . . 10.0 108.084 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.57 162.97 33.24 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.272 2.233 . . . . 10.0 113.694 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -169.23 108.19 0.43 Allowed 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.792 -2.458 . . . . 10.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.8 mt -81.65 143.03 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.645 3.091 . . . . 10.0 109.202 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -135.73 44.38 2.51 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 111.71 -2.495 . . . . 10.0 114.465 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -119.75 4.96 Favored Glycine 0 C--O 1.213 -1.218 0 CA-C-N 114.465 -1.243 . . . . 10.0 114.477 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.1 36.42 2.24 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 112.905 -1.648 . . . . 10.0 113.555 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.49 107.24 2.39 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 127.177 2.798 . . . . 10.0 109.389 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -78.0 93.61 4.49 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 123.624 1.678 . . . . 10.0 114.1 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -92.95 153.68 18.62 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 110.327 -3.124 . . . . 10.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -166.09 170.63 13.26 Favored 'General case' 0 CA--C 1.495 -1.147 0 CA-C-O 124.183 1.944 . . . . 10.0 111.047 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.94 95.67 4.01 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 111.887 -2.415 . . . . 10.0 112.905 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.523 ' HE3' ' CH2' ' A' ' 106' ' ' TRP . 24.3 mtt -77.28 141.12 40.12 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.3 -2.227 . . . . 10.0 109.747 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -132.93 139.25 47.24 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.887 3.242 . . . . 10.0 110.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -161.97 116.23 1.89 Allowed 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.408 -2.178 . . . . 10.0 114.144 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 60.2 22.27 11.62 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.38 0.86 59.4 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 112.536 -2.12 . . . . 10.0 113.657 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.95 139.44 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 O-C-N 128.512 3.125 . . . . 10.0 108.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -106.82 125.67 51.3 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 127.672 3.107 . . . . 10.0 111.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 111.13 18.06 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 124.502 2.096 . . . . 10.0 113.686 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.22 115.12 29.13 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.888 -1.506 . . . . 10.0 108.508 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.405 ' HB2' ' HE2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -123.43 116.13 22.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.108 -2.769 . . . . 10.0 107.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.71 118.47 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.167 0 N-CA-C 115.78 1.77 . . . . 10.0 115.78 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -104.31 139.76 38.84 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.929 2.018 . . . . 10.0 108.954 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 132' ' ' LYS . 2.4 tptt -112.55 140.93 46.89 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.044 -1.435 . . . . 10.0 113.318 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -65.95 140.75 58.34 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.005 -2.361 . . . . 10.0 108.176 179.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.28 -25.33 3.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 128.64 3.712 . . . . 10.0 113.698 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.1 p80 . . . . . 0 C--O 1.26 1.619 0 O-C-N 125.444 1.715 . . . . 10.0 111.691 -179.838 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.542 H203 ' CZ2' ' A' ' 106' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo . . . . . 0 N--CA 1.491 1.36 0 CA-C-O 123.414 1.339 . . . . 10.0 113.529 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 t -110.1 85.21 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 CA-C-O 123.827 1.775 . . . . 10.0 112.736 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.68 138.81 33.68 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 110.565 -3.016 . . . . 10.0 110.108 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -82.41 -6.87 59.56 Favored 'General case' 0 CA--C 1.511 -0.558 0 O-C-N 127.222 2.826 . . . . 10.0 113.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -62.62 134.35 56.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.8 -2.909 . . . . 10.0 109.106 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.67 -163.96 23.18 Favored Glycine 0 C--O 1.212 -1.222 0 CA-C-N 111.611 -2.541 . . . . 10.0 112.395 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 41' ' ' GLU . 3.7 m-85 -112.3 141.72 45.66 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 127.058 2.269 . . . . 10.0 108.408 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.485 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 1.3 m95 -146.31 118.52 8.34 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.48 -1.236 . . . . 10.0 113.431 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -116.51 151.14 36.73 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-N 112.487 -2.142 . . . . 10.0 108.82 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.6 ptm -87.69 148.46 24.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 110.516 -3.038 . . . . 10.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.65 -67.14 0.96 Allowed 'General case' 0 CA--C 1.497 -1.062 0 O-C-N 128.84 3.837 . . . . 10.0 112.622 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 t -136.11 162.75 32.06 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.29 179.48 4.1 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 115.553 -0.749 . . . . 10.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -139.43 -48.56 0.48 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 112.849 -1.978 . . . . 10.0 114.057 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -139.92 38.81 1.98 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 125.809 2.719 . . . . 10.0 108.282 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CD2' ' C ' ' A' ' 16' ' ' PHE . 51.5 t80 -65.38 -34.42 78.27 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 113.064 -1.88 . . . . 10.0 115.43 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -73.21 -48.4 35.42 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 111.361 -2.654 . . . . 10.0 113.421 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.19 -27.41 68.67 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 126.17 2.169 . . . . 10.0 113.848 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.426 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 57.0 t80 -66.03 -33.5 75.94 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.729 -3.396 . . . . 10.0 113.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 8.0 mt -78.45 -31.3 47.91 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 114.517 -1.22 . . . . 10.0 113.931 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -24.72 65.88 Favored 'General case' 0 C--O 1.21 -0.983 0 O-C-N 126.861 2.6 . . . . 10.0 113.257 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 -25.79 58.24 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 127.025 3.298 . . . . 10.0 113.127 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.1 7.54 46.41 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 110.446 -3.07 . . . . 10.0 108.494 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 51.95 51.42 16.52 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 113.322 -1.763 . . . . 10.0 114.849 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 20' ' ' LEU . 3.8 p -69.99 149.25 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 113.25 -1.795 . . . . 10.0 107.793 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.1 161.09 19.68 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 125.413 2.53 . . . . 10.0 110.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.45 -30.1 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 CA-C-N 111.863 -2.426 . . . . 10.0 113.361 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.13 68.2 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-O 122.699 1.238 . . . . 10.0 112.203 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.415 HD23 ' H41' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -68.01 -22.01 65.01 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 113.549 -1.66 . . . . 10.0 112.174 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.36 -27.44 46.92 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.504 -1.226 . . . . 10.0 109.604 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -39.55 53.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 112.205 -2.271 . . . . 10.0 110.766 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.33 -44.4 72.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 113.077 -1.874 . . . . 10.0 112.977 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.12 48.94 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 127.411 2.944 . . . . 10.0 114.797 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.98 -36.75 59.11 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 112.54 -2.118 . . . . 10.0 111.34 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.87 -4.05 55.27 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 126.855 2.597 . . . . 10.0 112.557 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD21 ' C2 ' ' A' ' 135' ' ' RTL . 1.8 tp -95.09 133.22 39.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 109.603 -3.453 . . . . 10.0 112.707 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -141.54 74.89 23.01 Favored Pre-proline 0 C--O 1.215 -0.749 0 CA-C-N 110.102 -3.226 . . . . 10.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -68.73 168.74 19.26 Favored 'Trans proline' 0 CA--C 1.499 -1.237 0 CA-C-O 124.296 1.707 . . . . 10.0 111.586 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.11 142.51 47.53 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.144 -1.844 . . . . 10.0 108.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 129.39 48.18 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 124.338 2.018 . . . . 10.0 113.781 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 1.4 tt0 -115.42 108.21 16.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 110.687 -2.96 . . . . 10.0 109.824 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.4 mm -91.1 148.04 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.296 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.44 72.19 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 O-C-N 128.219 3.449 . . . . 10.0 110.972 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.96 129.26 35.91 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 125.355 1.659 . . . . 10.0 112.84 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 -50.82 2.93 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 126.805 2.566 . . . . 10.0 110.786 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.76 91.01 0.08 OUTLIER Glycine 0 C--O 1.209 -1.443 0 O-C-N 127.086 2.741 . . . . 10.0 112.764 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.28 31.29 2.42 Favored 'General case' 0 C--O 1.209 -1.065 0 C-N-CA 125.056 1.343 . . . . 10.0 109.666 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 121.75 8.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.661 3.726 . . . . 10.0 108.142 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.8 mtm -131.91 88.86 2.61 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 126.523 2.39 . . . . 10.0 112.451 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.62 104.92 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-O 124.145 1.926 . . . . 10.0 113.586 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -89.92 109.36 20.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.507 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -100.84 123.42 45.0 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 111.165 -2.743 . . . . 10.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.1 m -107.31 112.68 25.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 123.65 1.691 . . . . 10.0 108.531 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.84 143.2 38.35 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.238 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -28.55 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 112.847 -1.979 . . . . 10.0 114.849 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m 94.18 -15.49 0.11 Allowed 'General case' 0 C--O 1.209 -1.031 0 O-C-N 127.374 2.921 . . . . 10.0 111.583 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -84.92 -30.21 24.53 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 123.328 1.537 . . . . 10.0 108.965 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -177.75 132.25 0.16 Allowed 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 109.583 -3.462 . . . . 10.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.88 106.99 18.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.919 -2.4 . . . . 10.0 113.132 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -114.0 109.18 18.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 113.606 -1.633 . . . . 10.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.9 144.2 35.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 CA-C-N 114.318 -1.31 . . . . 10.0 113.082 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.43 147.05 12.17 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 128.112 3.382 . . . . 10.0 111.267 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.43 89.09 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 127.63 3.081 . . . . 10.0 111.312 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.21 124.13 22.62 Favored 'General case' 0 C--O 1.209 -1.065 0 O-C-N 128.325 3.515 . . . . 10.0 112.384 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.3 134.51 46.57 Favored 'General case' 0 CA--C 1.495 -1.169 0 O-C-N 126.168 2.168 . . . . 10.0 110.287 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.25 125.87 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 O-C-N 126.887 2.617 . . . . 10.0 113.22 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.58 -18.6 56.14 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 114.462 -1.244 . . . . 10.0 113.225 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -110.57 150.04 29.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 114.199 1.185 . . . . 10.0 114.199 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -88.1 144.0 26.75 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 124.469 1.106 . . . . 10.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -168.33 155.22 7.62 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 127.781 3.175 . . . . 10.0 114.196 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.73 168.34 0.2 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 110.745 -2.934 . . . . 10.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.79 67.16 1.4 Allowed 'General case' 0 C--O 1.219 -0.516 0 O-C-N 128.03 3.331 . . . . 10.0 110.659 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.78 99.05 0.21 Allowed 'General case' 0 C--N 1.35 0.604 0 CA-C-N 110.44 -3.073 . . . . 10.0 112.72 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 tp -120.25 78.66 1.37 Allowed 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 125.96 2.79 . . . . 10.0 111.574 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.16 32.36 6.16 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 111.422 -2.626 . . . . 10.0 111.061 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.49 23.55 2.02 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 109.773 -3.376 . . . . 10.0 109.361 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.3 mp -154.22 -72.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 113.446 -1.377 . . . . 10.0 113.006 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -117.3 3.35 12.58 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 113.057 -1.883 . . . . 10.0 114.726 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 50.37 67.49 0.91 Allowed 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 126.993 3.282 . . . . 10.0 112.948 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -134.93 149.72 50.29 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 109.807 -3.361 . . . . 10.0 111.301 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 107.97 8.18 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 127.141 2.775 . . . . 10.0 109.54 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.3 m -141.28 177.45 8.09 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.643 -1.286 . . . . 10.0 114.391 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.1 mtp -103.95 141.97 35.23 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 125.369 1.668 . . . . 10.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -142.65 145.95 33.97 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 125.546 2.593 . . . . 10.0 112.694 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.28 160.05 36.07 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 110.565 -3.016 . . . . 10.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.55 114.09 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 112.26 -2.245 . . . . 10.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.25 154.07 17.72 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.799 3.187 . . . . 10.0 108.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.51 116.56 19.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.203 -1.362 . . . . 10.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -85.49 -59.58 2.28 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 127.135 2.772 . . . . 10.0 114.238 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 155.94 118.49 0.6 Allowed Glycine 0 C--N 1.35 1.345 0 CA-C-N 114.364 -1.289 . . . . 10.0 111.19 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.7 23.62 9.68 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 125.462 1.331 . . . . 10.0 111.297 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -156.45 169.11 25.37 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 127.546 3.029 . . . . 10.0 108.579 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 tt -151.46 136.41 17.33 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 126.991 2.682 . . . . 10.0 114.052 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.404 ' CG ' ' CG2' ' A' ' 107' ' ' THR . 6.7 mp0 -129.76 157.49 42.04 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 124.454 2.073 . . . . 10.0 111.642 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.4 m -121.25 108.22 13.48 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 110.829 -2.896 . . . . 10.0 111.79 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.96 123.91 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 O-C-N 125.748 1.905 . . . . 10.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.0 148.25 43.19 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 124.844 1.34 . . . . 10.0 108.858 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -88.65 -89.55 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 127.444 2.965 . . . . 10.0 113.242 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.14 -153.27 5.99 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-O 123.801 1.779 . . . . 10.0 109.785 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -155.68 66.4 0.61 Allowed 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.219 -1.99 . . . . 10.0 113.915 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HB3' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -149.86 163.62 37.56 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 124.813 2.244 . . . . 10.0 109.044 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.07 101.69 0.9 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 111.161 -2.745 . . . . 10.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.63 -110.04 2.49 Favored Glycine 0 C--O 1.226 -0.37 0 CA-C-N 111.034 -2.803 . . . . 10.0 113.127 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.467 ' CD ' ' HB3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 54.63 91.49 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.77 0 O-C-N 129.092 3.466 . . . . 10.0 111.997 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.01 123.42 0.67 Allowed Glycine 0 C--O 1.21 -1.378 0 CA-C-N 109.753 -3.385 . . . . 10.0 109.936 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.41 ' CD1' ' N ' ' A' ' 106' ' ' TRP . 0.1 OUTLIER -97.17 169.66 9.65 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 125.259 2.457 . . . . 10.0 109.931 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.404 ' CG2' ' CG ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -151.52 150.23 30.12 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 110.583 -3.008 . . . . 10.0 111.819 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -134.41 150.42 50.87 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 125.853 1.971 . . . . 10.0 109.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.414 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 7.2 t90 -169.13 79.24 0.12 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 111.526 -2.579 . . . . 10.0 109.145 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.7 mt -52.64 130.93 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-N 110.203 -3.181 . . . . 10.0 111.759 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -128.61 78.91 1.88 Allowed 'General case' 0 CA--C 1.513 -0.472 0 O-C-N 126.663 2.477 . . . . 10.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.18 -130.17 10.14 Favored Glycine 0 C--O 1.216 -1.025 0 CA-C-N 114.327 -1.306 . . . . 10.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 29.21 1.95 Allowed 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -143.88 151.44 39.85 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 114.611 -1.177 . . . . 10.0 111.278 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.33 101.65 11.93 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 123.387 1.565 . . . . 10.0 112.69 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -91.56 138.83 31.26 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 114.28 -1.327 . . . . 10.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 pp -157.42 143.4 17.61 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 126.117 2.135 . . . . 10.0 111.52 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.06 92.86 3.28 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 123.997 1.856 . . . . 10.0 112.268 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.7 mtm -80.41 169.18 18.06 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 112.617 -2.083 . . . . 10.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -147.76 142.99 27.22 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 113.489 -1.687 . . . . 10.0 113.186 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.52 111.11 0.9 Allowed 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 114.1 1.148 . . . . 10.0 114.1 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 70.19 21.49 5.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.641 1.21 . . . . 10.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.01 0.37 71.49 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.086 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 50.3 t -91.93 123.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.615 -1.292 . . . . 10.0 114.02 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.81 131.28 37.28 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 128.358 3.536 . . . . 10.0 112.376 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 2.5 t -131.84 114.23 14.45 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 111.874 -2.421 . . . . 10.0 111.121 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -116.56 132.18 56.75 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 112.005 -2.361 . . . . 10.0 112.558 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -118.89 124.02 46.08 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 111.245 -2.707 . . . . 10.0 112.744 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.7 t -93.51 110.14 22.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 112.976 -1.92 . . . . 10.0 108.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -97.55 169.89 9.4 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 112.555 -2.111 . . . . 10.0 110.31 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 134.8 20.64 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 110.014 -3.266 . . . . 10.0 108.869 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.454 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 9.5 tttt -97.77 133.61 42.05 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 110.879 -2.873 . . . . 10.0 108.658 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.0 t -100.22 -46.13 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 112.166 -2.288 . . . . 10.0 109.815 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.26 1.652 0 CA-C-N 110.673 -2.967 . . . . 10.0 111.067 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.442 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo . . . . . 0 N--CA 1.507 2.287 0 CA-C-O 124.733 1.889 . . . . 10.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.38 139.92 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 110.924 -2.853 . . . . 10.0 110.336 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.66 100.52 0.28 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 113.44 -1.709 . . . . 10.0 112.133 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -97.59 -40.44 8.62 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 126.145 2.153 . . . . 10.0 110.224 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.92 117.7 5.78 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 110.953 -2.839 . . . . 10.0 111.932 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.07 -145.16 10.43 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 123.807 1.782 . . . . 10.0 109.884 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -137.81 124.11 20.57 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 121.672 -0.899 . . . . 10.0 110.205 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 1.6 m95 -129.38 120.5 25.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 124.789 2.233 . . . . 10.0 112.774 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.7 -179.73 3.74 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 111.895 -2.411 . . . . 10.0 108.4 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 175.97 5.31 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.681 1.705 . . . . 10.0 113.853 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -136.17 -56.53 0.76 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 110.177 -3.192 . . . . 10.0 109.715 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.6 179.28 8.52 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 113.494 -1.684 . . . . 10.0 114.236 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.93 169.66 10.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 111.182 -2.736 . . . . 10.0 108.515 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.64 -58.03 0.48 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 125.083 1.489 . . . . 10.0 113.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -136.22 40.98 2.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 127.839 3.212 . . . . 10.0 108.73 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -70.18 -31.49 68.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 111.268 -2.696 . . . . 10.0 112.612 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.85 -46.2 46.44 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.4 -1.273 . . . . 10.0 112.366 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.44 -27.58 65.38 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.163 -0.926 . . . . 10.0 112.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -73.25 -28.08 61.94 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 126.602 2.438 . . . . 10.0 110.621 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 mt -73.67 -44.47 56.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.475 -1.239 . . . . 10.0 110.786 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -65.41 -20.93 66.59 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.354 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.06 62.69 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 123.771 1.748 . . . . 10.0 112.165 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.58 -15.16 27.26 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 110.554 -3.021 . . . . 10.0 110.07 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 76.57 61.78 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 126.154 2.159 . . . . 10.0 114.635 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.7 155.52 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 114.517 -1.22 . . . . 10.0 110.357 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.35 167.89 0.18 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 126.746 2.529 . . . . 10.0 112.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -77.82 -27.36 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 110.857 -2.883 . . . . 10.0 113.314 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.05 -47.53 24.36 Favored 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 129.111 4.007 . . . . 10.0 113.414 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -28.5 69.83 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 125.147 2.403 . . . . 10.0 113.976 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -27.19 52.72 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 110.549 -3.023 . . . . 10.0 111.344 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -79.89 -31.41 40.27 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 109.733 -3.394 . . . . 10.0 114.39 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.528 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 43.9 mt -78.85 -43.26 24.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 112.309 -2.223 . . . . 10.0 113.088 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -27.82 69.56 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.587 -1.642 . . . . 10.0 112.843 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.79 -32.38 73.63 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 125.188 1.555 . . . . 10.0 113.275 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.3 mt -78.59 -49.62 12.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.945 1.831 . . . . 10.0 112.609 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' CZ ' ' A' ' 57' ' ' PHE . 2.6 mm? -62.5 150.23 40.77 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 109.484 -3.507 . . . . 10.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -143.97 82.37 11.07 Favored Pre-proline 0 C--O 1.211 -0.931 0 O-C-N 126.829 2.581 . . . . 10.0 108.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.97 -179.11 0.21 Allowed 'Trans proline' 0 CA--C 1.494 -1.499 1 O-C-N 129.084 4.202 . . . . 10.0 111.642 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -145.68 155.99 43.35 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 112.451 -2.159 . . . . 10.0 109.345 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -121.07 132.93 55.18 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -116.49 122.02 43.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 127.035 2.71 . . . . 10.0 107.664 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 8' ' ' TRP . 4.7 mp -121.6 133.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 O-C-N 126.446 2.341 . . . . 10.0 113.759 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.71 81.03 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 127.351 2.907 . . . . 10.0 113.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -71.71 131.35 43.01 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-N 111.74 -2.482 . . . . 10.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.53 21.26 10.21 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 124.571 2.129 . . . . 10.0 114.146 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 108.25 0.59 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 112.342 -2.208 . . . . 10.0 110.75 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 59.7 21.92 10.68 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 126.203 1.767 . . . . 10.0 110.696 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 48' ' ' HIS . 14.1 t-160 -158.62 112.8 2.47 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.293 -2.23 . . . . 10.0 109.348 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttm -128.88 138.03 51.79 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.125 -2.761 . . . . 10.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.3 mt -118.42 109.45 27.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 126.331 2.269 . . . . 10.0 108.452 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.47 ' CD1' H152 ' A' ' 135' ' ' RTL . 49.1 mt -99.84 109.06 23.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.333 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -101.26 110.2 22.18 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 109.88 -3.327 . . . . 10.0 112.949 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 102.94 14.81 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 112.413 -2.176 . . . . 10.0 107.952 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.28 119.67 25.91 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 112.963 -1.926 . . . . 10.0 114.459 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.09 166.16 26.16 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.055 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.7 p -81.75 -17.02 49.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 123.214 1.483 . . . . 10.0 112.095 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.528 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 2.3 m-85 -85.47 -47.41 9.96 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.965 -1.471 . . . . 10.0 113.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -170.17 144.98 2.71 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 127.305 2.878 . . . . 10.0 114.295 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -84.63 124.52 31.55 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.676 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -120.07 97.3 5.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 125.54 2.59 . . . . 10.0 111.822 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.6 126.12 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE2' ' CG ' ' A' ' 72' ' ' GLU . 32.9 mtp -130.06 124.75 33.56 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 124.831 1.332 . . . . 10.0 110.064 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -90.53 57.22 3.56 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 114.583 -1.19 . . . . 10.0 112.149 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -47.88 141.17 5.96 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.796 1.284 . . . . 10.0 114.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.21 113.02 13.93 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 111.746 -2.479 . . . . 10.0 107.678 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -84.12 125.09 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.074 0 CA-C-O 124.023 1.868 . . . . 10.0 114.203 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.99 -26.45 19.16 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 110.941 -2.845 . . . . 10.0 111.334 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 169.53 8.53 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 127.514 2.538 . . . . 10.0 112.604 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -113.92 139.43 49.21 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 112.366 -2.197 . . . . 10.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 8.1 p90 -160.88 145.27 13.8 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.638 -1.619 . . . . 10.0 110.726 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.61 161.92 5.58 Favored 'General case' 0 N--CA 1.462 0.145 0 O-C-N 126.673 2.483 . . . . 10.0 110.165 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' CG ' ' HE2' ' A' ' 62' ' ' MET . 4.0 tt0 -139.41 133.46 31.06 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 110.831 -2.895 . . . . 10.0 109.153 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.7 119.13 38.3 Favored 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 127.301 2.875 . . . . 10.0 109.596 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.35 24.78 8.37 Favored 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 125.905 2.003 . . . . 10.0 110.683 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.1 p -75.9 135.26 40.13 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 126.899 3.238 . . . . 10.0 110.411 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.26 -12.49 55.15 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.64 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -112.77 -85.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 111.374 -2.413 . . . . 10.0 108.622 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.95 11.09 3.94 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.3 t0 40.94 89.09 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 125.796 1.935 . . . . 10.0 114.224 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.68 46.44 0.71 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 123.336 1.541 . . . . 10.0 110.146 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -39.56 120.32 1.07 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 109.556 -3.475 . . . . 10.0 113.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.4 m -148.46 -175.4 4.9 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 118.382 -1.327 . . . . 10.0 114.441 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.21 143.64 26.45 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 125.209 1.568 . . . . 10.0 110.072 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 133.92 24.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 123.923 1.82 . . . . 10.0 113.948 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.5 148.03 45.65 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-N 111.669 -2.514 . . . . 10.0 109.717 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 87' ' ' SER . 77.0 t -128.86 143.33 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 119.457 -0.897 . . . . 10.0 109.568 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.405 ' N ' HG11 ' A' ' 86' ' ' VAL . 22.7 t -140.99 -166.92 2.26 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 126.475 2.359 . . . . 10.0 109.05 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -137.8 160.24 39.8 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 125.823 1.952 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.66 57.43 1.11 Allowed 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 123.686 1.708 . . . . 10.0 112.13 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.96 -96.34 2.0 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-N 113.4 -1.727 . . . . 10.0 114.747 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -93.57 -18.33 22.35 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 127.364 2.45 . . . . 10.0 114.766 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 156.33 37.3 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.24 88.49 2.78 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 128.07 3.356 . . . . 10.0 108.639 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -93.17 151.96 19.52 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 125.913 2.008 . . . . 10.0 107.948 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 16.7 m -117.32 157.57 25.89 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 126.656 2.472 . . . . 10.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.2 133.83 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 111.969 -2.378 . . . . 10.0 111.804 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -97.52 168.79 10.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.043 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -143.24 58.35 1.4 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 117.863 -1.535 . . . . 10.0 108.905 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.63 72.61 0.33 Allowed Glycine 0 C--N 1.339 0.733 0 CA-C-N 112.418 -2.174 . . . . 10.0 114.6 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 63.04 -159.56 0.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 O-C-N 127.677 2.634 . . . . 10.0 114.39 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HB3' ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER 68.37 -175.44 0.2 Allowed 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.701 1.239 . . . . 10.0 109.021 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -164.01 101.15 0.87 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 124.918 2.294 . . . . 10.0 108.661 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.61 -36.38 1.17 Allowed Glycine 0 N--CA 1.465 0.576 0 CA-C-N 110.088 -3.233 . . . . 10.0 113.19 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.421 ' HD3' ' HB3' ' A' ' 101' ' ' LYS . 21.8 ptt-85 -45.18 148.64 0.58 Allowed 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 127.737 2.669 . . . . 10.0 113.026 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.13 87.81 0.48 Allowed Glycine 0 C--N 1.351 1.383 0 CA-C-N 110.05 -3.25 . . . . 10.0 109.49 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.95 134.46 43.14 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 126.169 1.746 . . . . 10.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 147.63 43.9 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 127.38 2.925 . . . . 10.0 109.994 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.13 162.69 18.2 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 110.405 -3.088 . . . . 10.0 109.277 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -140.06 -62.02 0.51 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 112.276 -2.238 . . . . 10.0 114.085 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 111' ' ' GLU . 3.8 mt 70.26 142.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 128.153 3.408 . . . . 10.0 112.419 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.427 ' N ' HG21 ' A' ' 110' ' ' ILE . 64.8 mt-10 -126.27 -175.17 3.3 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 110.373 -3.103 . . . . 10.0 110.54 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.89 -46.42 60.58 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 113.495 -1.684 . . . . 10.0 111.229 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.17 69.66 0.78 Allowed 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.538 -0.831 . . . . 10.0 111.742 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 164.6 130.49 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.934 0 O-C-N 127.421 2.951 . . . . 10.0 109.386 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.528 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -90.93 113.8 26.11 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 111.932 -2.395 . . . . 10.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -107.89 102.45 11.64 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 113.006 -1.907 . . . . 10.0 110.763 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.02 149.49 45.99 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.121 2.763 . . . . 10.0 108.891 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -128.72 97.98 4.85 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.384 -1.735 . . . . 10.0 113.078 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 71.3 mtp -86.99 127.79 35.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 127.354 2.909 . . . . 10.0 113.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -125.43 155.62 40.16 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.339 2.274 . . . . 10.0 111.47 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -170.06 128.65 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 128.021 3.325 . . . . 10.0 112.482 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 64.07 17.14 10.45 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.4 1.259 . . . . 10.0 114.4 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.28 57.46 Favored Glycine 0 C--O 1.216 -0.993 0 O-C-N 125.278 1.611 . . . . 10.0 113.345 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.73 137.87 24.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 111.755 -2.223 . . . . 10.0 108.592 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 m -111.55 133.46 53.81 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 112.598 -2.092 . . . . 10.0 113.365 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.92 132.03 31.79 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 112.178 -2.283 . . . . 10.0 110.516 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.17 18.5 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 113.487 -1.688 . . . . 10.0 113.14 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -96.53 140.27 31.4 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 125.039 1.336 . . . . 10.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.73 99.53 8.73 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 124.237 1.97 . . . . 10.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -100.24 136.5 40.04 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-N 111.597 -2.547 . . . . 10.0 107.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.425 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 9.2 tptm -103.45 126.88 50.86 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 110.929 -2.851 . . . . 10.0 114.588 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -75.18 151.51 38.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 128.796 3.81 . . . . 10.0 109.373 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 134' ' ' HIS . 24.3 t -115.22 -71.91 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 111.447 -2.615 . . . . 10.0 108.428 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.405 ' N ' HG13 ' A' ' 133' ' ' VAL . 2.4 t-80 . . . . . 0 C--O 1.245 0.823 0 O-C-N 127.057 2.723 . . . . 10.0 112.588 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.483 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.51 2.484 0 CA-C-O 123.87 1.529 . . . . 10.0 111.081 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -76.98 131.75 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 113.348 -1.751 . . . . 10.0 107.807 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -132.85 125.2 29.46 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 128.057 3.348 . . . . 10.0 112.526 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -87.14 -21.08 26.18 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 112.033 -2.349 . . . . 10.0 113.842 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -49.36 133.31 19.95 Favored 'General case' 0 CA--C 1.507 -0.686 0 O-C-N 124.636 1.21 . . . . 10.0 111.723 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.34 -158.88 23.61 Favored Glycine 0 C--O 1.208 -1.508 0 CA-C-O 123.307 1.504 . . . . 10.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.56 129.51 55.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.563 -1.819 . . . . 10.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 42' ' ' ILE . 20.8 m95 -123.51 118.6 27.75 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 124.946 1.404 . . . . 10.0 109.042 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HG2' ' CG2' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.79 143.49 44.56 Favored 'General case' 0 C--O 1.21 -1.021 0 O-C-N 126.69 2.493 . . . . 10.0 109.595 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.53 168.77 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 126.883 3.23 . . . . 10.0 115.449 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -142.51 -56.62 0.44 Allowed 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 109.568 -3.469 . . . . 10.0 109.778 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 p -170.7 147.79 2.87 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 126.567 2.417 . . . . 10.0 109.368 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.95 127.65 32.85 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 112.69 -2.05 . . . . 10.0 108.639 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -113.58 146.6 39.45 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 127.389 2.931 . . . . 10.0 112.33 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 51.3 27.62 3.72 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 125.545 2.593 . . . . 10.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -76.22 -30.91 58.14 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 113.079 -1.873 . . . . 10.0 112.479 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -27.24 57.47 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 111.162 -2.744 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HB3' HG13 ' A' ' 124' ' ' VAL . 8.9 tt0 -75.65 -29.59 59.17 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 112.081 -2.327 . . . . 10.0 110.67 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -23.99 60.25 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 111.956 -2.384 . . . . 10.0 110.421 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.0 -39.18 56.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 126.063 2.102 . . . . 10.0 112.973 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' NH1' HH11 ' A' ' 30' ' ' ARG . 1.9 ttp-105 -62.84 -23.41 67.28 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 113.031 -1.895 . . . . 10.0 115.158 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -23.83 60.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 112.92 -1.945 . . . . 10.0 111.824 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.0 mt -106.48 29.91 6.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.298 -1.319 . . . . 10.0 111.668 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 35.62 43.01 0.15 Allowed 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 128.471 3.607 . . . . 10.0 115.308 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -78.43 141.77 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.803 -2.908 . . . . 10.0 108.638 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -45.99 153.05 0.33 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-O 123.136 1.445 . . . . 10.0 111.413 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 p -72.48 -20.19 19.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 CA-C-N 110.271 -3.149 . . . . 10.0 111.729 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.88 -37.22 55.91 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 112.129 -2.305 . . . . 10.0 109.66 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -22.24 64.64 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.282 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.419 HH11 ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.6 -30.57 41.56 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 125.998 2.061 . . . . 10.0 108.64 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -39.97 89.42 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 126.866 2.604 . . . . 10.0 111.73 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CG2' ' CZ ' ' A' ' 57' ' ' PHE . 60.6 mt -79.04 -38.3 20.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 110.346 -3.115 . . . . 10.0 111.907 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.52 -22.87 62.27 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.884 -2.416 . . . . 10.0 114.713 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.62 -22.4 66.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.795 -1.548 . . . . 10.0 113.694 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.78 24.27 7.75 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 126.571 2.419 . . . . 10.0 113.564 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.6 94.41 5.19 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 111.804 -2.453 . . . . 10.0 109.195 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -129.59 82.38 67.47 Favored Pre-proline 0 CA--C 1.504 -0.792 0 CA-C-N 110.933 -2.849 . . . . 10.0 108.241 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -67.76 -171.86 0.36 Allowed 'Trans proline' 0 CA--C 1.494 -1.521 0 O-C-N 127.156 3.187 . . . . 10.0 114.68 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.28 170.51 11.8 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 111.61 -2.541 . . . . 10.0 108.512 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -141.34 145.13 35.04 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 125.256 1.598 . . . . 10.0 114.197 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -138.93 128.91 25.13 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 110.609 -2.996 . . . . 10.0 108.618 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.521 HD13 ' CD1' ' A' ' 8' ' ' TRP . 3.2 mt -121.69 145.02 28.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-N 111.841 -2.436 . . . . 10.0 112.782 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.06 80.94 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 111.876 -2.42 . . . . 10.0 110.008 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.89 119.21 3.71 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 123.668 1.699 . . . . 10.0 114.037 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -152.15 99.9 2.57 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.263 -2.244 . . . . 10.0 108.011 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.08 131.93 1.04 Allowed Glycine 0 C--O 1.211 -1.302 0 O-C-N 126.615 2.447 . . . . 10.0 113.534 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 69.25 34.06 3.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.172 1.175 . . . . 10.0 114.172 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 1.4 m170 158.8 80.06 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 126.353 2.283 . . . . 10.0 112.32 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.71 101.04 12.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.616 -1.629 . . . . 10.0 108.285 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.51 121.68 36.59 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 O-C-N 127.966 3.291 . . . . 10.0 110.046 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.49 108.45 25.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 111.92 -2.4 . . . . 10.0 108.883 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.97 151.48 23.71 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 110.159 -3.201 . . . . 10.0 109.555 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.7 m -148.82 96.31 2.55 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 128.866 3.854 . . . . 10.0 109.25 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.58 82.09 2.41 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 124.576 2.131 . . . . 10.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -100.61 -4.06 29.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 111.153 -2.749 . . . . 10.0 113.836 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.06 24.73 6.3 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 112.937 -1.938 . . . . 10.0 113.55 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CZ ' ' CG2' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -127.48 -68.5 0.78 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 126.582 2.426 . . . . 10.0 110.836 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.54 62.09 1.62 Allowed 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 112.761 -2.018 . . . . 10.0 111.677 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 8.8 m120 -31.56 93.73 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 127.931 3.27 . . . . 10.0 113.424 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CE1' ' CE ' ' A' ' 62' ' ' MET . 3.1 t80 -83.18 73.04 10.13 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 128.718 3.761 . . . . 10.0 114.649 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 59' ' ' ASN . 1.3 mp -100.0 117.16 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 109.879 -3.328 . . . . 10.0 112.528 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.406 ' CE ' ' CE1' ' A' ' 60' ' ' TYR . 18.7 mtt -146.86 152.09 38.14 Favored 'General case' 0 CA--C 1.495 -1.146 0 CA-C-O 124.127 1.917 . . . . 10.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -96.9 71.77 2.52 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 110.338 -3.119 . . . . 10.0 113.215 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.2 115.03 2.21 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 112.814 -1.994 . . . . 10.0 112.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 27.0 mt-30 -91.14 143.4 26.72 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 112.84 -1.982 . . . . 10.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 HG12 HG13 ' A' ' 86' ' ' VAL . 57.7 t -102.37 125.95 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-O 123.975 1.845 . . . . 10.0 111.943 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.86 20.51 59.43 Favored Glycine 0 C--O 1.215 -1.091 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.802 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -134.46 141.91 46.92 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-O 125.034 2.349 . . . . 10.0 114.539 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -90.63 102.44 15.19 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 111.98 -2.373 . . . . 10.0 108.034 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 70' ' ' PHE . 21.9 p90 -134.39 150.19 50.87 Favored 'General case' 0 CA--C 1.494 -1.193 0 O-C-N 127.633 3.083 . . . . 10.0 110.327 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.91 133.52 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 113.899 -1.501 . . . . 10.0 113.96 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -105.85 97.43 7.26 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.904 2.003 . . . . 10.0 113.2 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.35 105.98 2.34 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 112.174 -2.284 . . . . 10.0 112.639 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.99 10.62 34.92 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.411 1.694 . . . . 10.0 112.826 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -58.75 99.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 123.123 1.439 . . . . 10.0 111.275 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.09 -29.1 0.9 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 113.18 -1.827 . . . . 10.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.479 ' CG2' H182 ' A' ' 135' ' ' RTL . 1.4 mt -106.91 -65.59 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 113.567 -1.316 . . . . 10.0 112.95 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.9 1.58 8.69 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.684 1.865 . . . . 10.0 112.964 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 t70 48.43 90.45 0.02 OUTLIER 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.739 1.733 . . . . 10.0 114.339 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.25 123.25 0.13 Allowed 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.04 1.126 . . . . 10.0 114.04 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -84.97 128.99 34.87 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 125.625 1.828 . . . . 10.0 109.463 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 m -144.17 154.26 42.97 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 125.283 2.468 . . . . 10.0 110.531 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtt -81.93 138.04 35.06 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 110.391 -3.095 . . . . 10.0 111.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -127.41 153.96 45.61 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.32 -3.127 . . . . 10.0 113.406 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.28 147.21 26.69 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 111.075 -2.784 . . . . 10.0 109.875 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 66' ' ' VAL . 48.6 t -131.23 117.63 37.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 126.694 2.497 . . . . 10.0 110.402 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -122.67 156.94 33.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 124.948 2.308 . . . . 10.0 113.737 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 140.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 111.438 -2.619 . . . . 10.0 112.333 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.56 112.59 2.46 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 111.985 -2.371 . . . . 10.0 114.29 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.86 56.73 7.33 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.122 -0.944 . . . . 10.0 113.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 46.61 37.01 4.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 125.045 1.085 . . . . 10.0 113.913 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.52 109.78 8.37 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 127.041 2.713 . . . . 10.0 109.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.1 tp -81.89 130.37 35.05 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.034 -2.348 . . . . 10.0 111.404 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -134.09 164.51 27.17 Favored 'General case' 0 C--O 1.209 -1.071 0 CA-C-N 110.277 -3.147 . . . . 10.0 109.507 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 158.44 26.74 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 113.35 -1.75 . . . . 10.0 108.717 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.37 104.97 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 112.496 -2.138 . . . . 10.0 108.972 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -109.47 106.58 16.39 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.409 -1.723 . . . . 10.0 108.132 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -44.95 -55.87 5.1 Favored 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.088 3.368 . . . . 10.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.78 -157.94 0.14 Allowed Glycine 0 C--O 1.209 -1.411 0 O-C-N 126.271 2.232 . . . . 10.0 113.81 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.49 18.54 4.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 113.478 -1.361 . . . . 10.0 112.179 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -125.36 174.24 8.29 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 126.889 2.618 . . . . 10.0 108.585 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -102.71 137.68 40.61 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 124.896 1.372 . . . . 10.0 111.614 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.27 24.27 52.01 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-N 111.538 -2.574 . . . . 10.0 112.503 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -83.77 129.43 34.94 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.983 -1.608 . . . . 10.0 113.137 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.87 142.39 4.71 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 112.98 -1.918 . . . . 10.0 111.344 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.448 ' CH2' H201 ' A' ' 135' ' ' RTL . 0.8 OUTLIER -96.31 -175.57 3.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 113.574 -1.313 . . . . 10.0 113.055 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.8 m -160.54 117.55 2.42 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 128.062 3.351 . . . . 10.0 110.413 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 117' ' ' LEU . 6.0 mt-30 -103.53 126.57 50.76 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 126.097 2.123 . . . . 10.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 10.6 t90 -147.84 103.36 3.49 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.751 1.739 . . . . 10.0 108.658 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.3 mt -78.45 151.67 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.835 0 CA-C-N 113.026 -1.897 . . . . 10.0 112.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -137.13 75.69 1.54 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 110.689 -2.96 . . . . 10.0 110.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.67 -106.55 2.54 Favored Glycine 0 C--O 1.213 -1.214 0 CA-C-N 112.431 -2.168 . . . . 10.0 110.588 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.71 71.54 0.76 Allowed 'General case' 0 CA--C 1.497 -1.087 0 CA-C-N 111.111 -2.545 . . . . 10.0 111.3 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.69 140.66 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 111.142 -2.754 . . . . 10.0 109.905 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.491 HD13 ' CE3' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -98.72 108.04 20.64 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 111.044 -2.798 . . . . 10.0 114.197 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 94.52 9.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-N 111.686 -2.507 . . . . 10.0 110.806 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.0 tp -107.04 138.04 43.97 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.695 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -131.28 95.04 3.68 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 127.962 3.289 . . . . 10.0 113.421 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.12 133.1 35.07 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 125.29 1.619 . . . . 10.0 111.155 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -126.62 140.19 52.61 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 115.096 -0.956 . . . . 10.0 110.811 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -155.95 114.56 3.44 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 127.627 3.079 . . . . 10.0 111.415 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.59 19.91 4.91 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 112.868 -1.969 . . . . 10.0 112.268 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.51 -14.72 64.11 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 111.241 -2.709 . . . . 10.0 112.108 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 18' ' ' GLU . 59.5 t -79.68 130.46 36.01 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.955 0 O-C-N 125.579 1.399 . . . . 10.0 108.009 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 55.0 m -97.1 131.65 43.66 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 112.69 -2.05 . . . . 10.0 113.509 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -124.29 118.3 26.48 Favored 'General case' 0 C--N 1.341 0.204 0 O-C-N 125.661 1.851 . . . . 10.0 108.577 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -114.72 114.7 25.97 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 126.098 2.124 . . . . 10.0 112.956 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -106.34 155.29 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 127.819 3.199 . . . . 10.0 108.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.92 124.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 O-C-N 125.062 1.476 . . . . 10.0 113.263 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -116.91 118.48 32.57 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 122.455 1.122 . . . . 10.0 109.728 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 tmtp? -82.38 127.87 33.68 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 123.982 1.849 . . . . 10.0 109.688 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 136.69 36.57 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 9' ' ' LYS . 1.7 t -125.28 1.2 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 114.315 -1.311 . . . . 10.0 113.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 134' ' ' HIS . 10.6 m-70 . . . . . 0 C--O 1.242 0.693 0 CA-C-O 113.516 -3.135 . . . . 10.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.542 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.51 2.446 0 CA-C-O 122.196 0.832 . . . . 10.0 111.774 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.82 114.19 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-N 113.392 -1.731 . . . . 10.0 111.503 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.14 130.8 56.86 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.354 -1.293 . . . . 10.0 109.738 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' CD2' ' HE2' ' A' ' 49' ' ' MET . 5.2 m-30 -101.86 -16.94 16.41 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.799 3.187 . . . . 10.0 114.043 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -54.36 115.45 2.1 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 126.157 2.161 . . . . 10.0 113.683 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.71 -171.78 31.16 Favored Glycine 0 C--O 1.216 -0.996 0 CA-C-O 125.316 2.62 . . . . 10.0 112.517 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.441 ' C ' ' CG ' ' A' ' 8' ' ' TRP . 8.1 m-85 -103.92 143.1 33.3 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 112.67 -1.765 . . . . 10.0 113.313 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.441 ' CG ' ' C ' ' A' ' 7' ' ' TYR . 10.1 m95 -146.79 146.11 30.14 Favored 'General case' 0 CA--C 1.501 -0.929 1 O-C-N 129.154 4.034 . . . . 10.0 110.169 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -128.8 156.65 43.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 128.045 3.341 . . . . 10.0 110.302 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -94.65 128.96 41.67 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 128.112 3.383 . . . . 10.0 110.76 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.98 -60.74 1.62 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 110.069 -3.241 . . . . 10.0 111.653 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -144.48 150.12 37.08 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 112.609 -2.087 . . . . 10.0 109.584 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -101.53 -178.59 3.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 124.145 1.926 . . . . 10.0 109.979 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -173.7 114.84 0.22 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 111.897 -2.41 . . . . 10.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 57.38 33.49 23.36 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 124.957 2.313 . . . . 10.0 112.564 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -78.45 -25.97 46.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.331 -2.213 . . . . 10.0 108.414 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -75.41 -39.62 58.78 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 128.013 3.321 . . . . 10.0 111.985 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.16 -25.78 60.94 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.635 2.46 . . . . 10.0 112.028 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.75 -29.0 50.82 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.374 -2.194 . . . . 10.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 HG22 ' A' ' 25' ' ' VAL . 9.5 mt -71.56 -30.58 66.04 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.301 -2.227 . . . . 10.0 113.097 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -71.71 -25.26 62.01 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 113.666 -1.606 . . . . 10.0 114.307 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.83 63.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.494 1.14 . . . . 10.0 112.554 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -97.04 7.7 46.09 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 125.296 2.474 . . . . 10.0 107.986 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.0 OUTLIER 51.29 44.52 28.79 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.379 -1.737 . . . . 10.0 114.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG22 HD23 ' A' ' 20' ' ' LEU . 4.0 t -71.41 132.41 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.173 0 CA-C-N 113.153 -1.84 . . . . 10.0 111.511 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -45.44 153.82 0.22 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 125.74 2.686 . . . . 10.0 114.998 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 t -68.99 -28.72 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 CA-C-N 111.28 -2.691 . . . . 10.0 113.193 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.84 47.8 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 124.734 2.207 . . . . 10.0 111.633 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -29.76 66.94 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 111.172 -2.74 . . . . 10.0 111.525 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -75.39 -33.48 61.01 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 125.938 2.024 . . . . 10.0 113.065 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -34.01 77.07 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 127.156 2.785 . . . . 10.0 111.418 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mt -78.52 -34.17 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.009 0 CA-C-N 109.44 -3.527 . . . . 10.0 112.109 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -23.84 66.16 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-O 124.151 1.929 . . . . 10.0 112.593 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -70.86 -28.06 64.29 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.631 -1.293 . . . . 10.0 112.59 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.5 mt -90.61 -37.16 13.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 126.986 2.679 . . . . 10.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.23 166.91 17.12 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 110.562 -3.017 . . . . 10.0 114.215 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.94 68.13 0.07 OUTLIER Pre-proline 0 C--O 1.21 -1.003 0 CA-C-N 110.499 -3.046 . . . . 10.0 108.488 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -56.23 170.6 1.11 Allowed 'Trans proline' 0 C--O 1.21 -0.92 0 O-C-N 126.064 2.613 . . . . 10.0 113.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.31 138.62 36.15 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 111.927 -2.397 . . . . 10.0 111.43 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -105.19 130.85 53.25 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.969 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -125.31 97.86 5.39 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.571 -1.195 . . . . 10.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.64 131.34 33.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 C-N-CA 119.568 -0.853 . . . . 10.0 112.242 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 t -125.51 88.39 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 126.203 2.189 . . . . 10.0 111.314 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -86.15 141.33 29.45 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 113.36 -1.745 . . . . 10.0 110.408 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -156.23 66.15 0.57 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 126.181 2.175 . . . . 10.0 113.084 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 98.63 0.03 OUTLIER Glycine 0 C--O 1.213 -1.168 0 CA-C-N 110.943 -2.844 . . . . 10.0 109.17 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 72.85 -58.78 0.59 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 127.607 2.592 . . . . 10.0 110.686 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -59.57 139.73 56.91 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.668 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.465 ' HE2' ' CD2' ' A' ' 4' ' ' PHE . 8.9 ttm -152.9 89.81 1.41 Allowed 'General case' 0 CA--C 1.506 -0.713 1 O-C-N 129.107 4.004 . . . . 10.0 111.479 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mt -84.6 126.19 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 112.093 -2.321 . . . . 10.0 110.819 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.28 89.4 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 127.663 3.102 . . . . 10.0 109.136 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -85.65 126.95 34.32 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 127.837 3.21 . . . . 10.0 114.898 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 m -114.07 96.26 5.72 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-O 125.471 2.557 . . . . 10.0 111.463 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.48 115.67 17.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.165 -3.198 . . . . 10.0 114.611 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 p -158.91 132.38 7.36 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 111.874 -2.421 . . . . 10.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 p -47.99 -31.5 5.41 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 112.407 -2.178 . . . . 10.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' A' ' 32' ' ' ILE . 38.5 m-85 -64.99 -57.61 8.27 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 128.103 3.377 . . . . 10.0 113.983 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -157.45 129.53 7.16 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 123.118 1.437 . . . . 10.0 111.425 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -81.01 103.51 10.88 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.531 -1.668 . . . . 10.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.421 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 46.9 t80 -102.52 108.39 19.68 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 125.711 1.882 . . . . 10.0 113.352 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.44 126.07 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 112.147 -2.297 . . . . 10.0 111.678 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.51 120.49 5.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 112.742 -2.026 . . . . 10.0 112.62 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -64.41 159.39 21.4 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.394 2.309 . . . . 10.0 107.426 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -114.55 -47.5 2.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 127.047 2.717 . . . . 10.0 113.028 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 60.36 99.06 0.03 OUTLIER 'General case' 0 C--O 1.211 -0.968 0 O-C-N 125.795 1.934 . . . . 10.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG22 HG12 ' A' ' 86' ' ' VAL . 1.7 t -82.73 132.86 30.38 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 O-C-N 127.8 3.187 . . . . 10.0 110.539 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.15 -13.9 66.54 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 112.141 -2.3 . . . . 10.0 114.009 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 170.27 8.15 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 123.777 1.751 . . . . 10.0 109.918 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -81.67 118.49 22.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.015 -2.812 . . . . 10.0 107.7 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -99.5 148.18 24.52 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 112.592 -2.094 . . . . 10.0 115.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.83 77.77 1.14 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 112.984 -1.917 . . . . 10.0 112.684 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.65 139.2 13.01 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 126.087 2.117 . . . . 10.0 113.738 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -130.17 109.28 10.68 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 111.014 -2.812 . . . . 10.0 113.052 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.57 19.89 13.81 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 111.368 -2.651 . . . . 10.0 112.187 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.5 133.87 40.94 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.345 2.278 . . . . 10.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.99 -22.49 12.39 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-O 125.954 2.974 . . . . 10.0 108.56 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.439 ' N ' ' CD1' ' A' ' 77' ' ' ILE . 1.5 mp -101.7 -68.68 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.713 -2.244 . . . . 10.0 109.464 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -124.3 3.77 8.47 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 126.412 2.32 . . . . 10.0 112.709 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.31 64.44 1.36 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-O 123.283 1.516 . . . . 10.0 108.81 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.93 164.48 29.88 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 111.094 -2.776 . . . . 10.0 108.299 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.81 133.03 0.2 Allowed 'General case' 0 C--O 1.209 -1.029 0 O-C-N 125.047 1.467 . . . . 10.0 110.484 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.0 m -146.4 175.96 10.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 O-C-N 126.882 2.614 . . . . 10.0 110.679 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.8 mtm -80.87 155.62 26.47 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 111.139 -2.755 . . . . 10.0 108.111 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -154.6 160.82 41.7 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 110.914 -2.857 . . . . 10.0 113.479 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.3 131.02 8.97 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 124.2 1.953 . . . . 10.0 111.281 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.45 ' CG2' ' CE1' ' A' ' 64' ' ' PHE . 89.9 t -99.19 148.23 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-N 110.864 -2.88 . . . . 10.0 110.084 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.3 p -157.04 -177.6 6.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 113.536 -1.665 . . . . 10.0 113.123 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -118.83 137.54 53.34 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 110.704 -2.953 . . . . 10.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.5 39.71 2.44 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 111.794 -2.457 . . . . 10.0 111.238 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.8 -98.77 0.38 Allowed Glycine 0 C--O 1.219 -0.79 0 CA-C-O 125.089 2.494 . . . . 10.0 110.785 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.15 -51.68 2.84 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 110.973 -2.614 . . . . 10.0 108.797 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 109' ' ' TRP . 0.2 OUTLIER -57.39 153.25 12.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 111.53 -2.577 . . . . 10.0 113.896 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.5 tt -104.45 85.43 2.35 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 111.221 -2.718 . . . . 10.0 107.714 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.91 149.82 23.15 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 110.423 -3.081 . . . . 10.0 113.724 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.12 123.22 11.46 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 112.676 -2.057 . . . . 10.0 111.395 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.23 146.68 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 112.176 -2.284 . . . . 10.0 109.367 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.465 ' CB ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -110.83 133.26 53.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -96.84 29.06 3.17 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 127.937 3.273 . . . . 10.0 115.374 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.25 -177.86 4.22 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 112.756 -2.02 . . . . 10.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.83 -10.31 24.94 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.644 1.688 . . . . 10.0 111.827 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -83.16 -168.18 1.98 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 110.832 -2.895 . . . . 10.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -132.9 119.34 20.05 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.521 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.61 -28.77 6.34 Favored Glycine 0 C--N 1.332 0.337 0 N-CA-C 109.87 -1.292 . . . . 10.0 109.87 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.465 ' HB2' ' CB ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -50.41 135.58 21.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.088 1.423 . . . . 10.0 111.406 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.29 140.67 2.94 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-N 111.999 -2.364 . . . . 10.0 111.515 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.486 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -104.11 158.83 16.16 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 112.348 -1.926 . . . . 10.0 114.829 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -159.36 146.49 16.97 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.336 -2.665 . . . . 10.0 112.086 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' NE2' ' CE2' ' A' ' 4' ' ' PHE . 7.1 tt0 -167.33 148.55 5.64 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.415 -1.266 . . . . 10.0 113.441 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.47 ' HB2' ' CG ' ' A' ' 92' ' ' LYS . 13.1 t-105 -162.88 136.17 5.85 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 110.368 -3.106 . . . . 10.0 109.114 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 47.9 mt -94.82 130.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 O-C-N 127.058 2.724 . . . . 10.0 114.804 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 98.14 5.62 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 111.375 -2.648 . . . . 10.0 109.174 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.01 -118.43 5.37 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 111.303 -2.68 . . . . 10.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -111.91 42.6 1.71 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 114.107 -1.047 . . . . 10.0 111.63 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -150.93 133.7 15.77 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.27 -1.332 . . . . 10.0 114.308 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.441 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -92.77 112.92 25.04 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 112.612 -2.085 . . . . 10.0 110.006 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -124.16 92.99 3.78 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 124.257 1.98 . . . . 10.0 114.479 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.0 pp -90.81 173.62 7.9 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 122.747 1.26 . . . . 10.0 108.985 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -140.86 92.1 2.47 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 110.854 -2.885 . . . . 10.0 111.923 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.486 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mtp -86.77 138.08 31.9 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 113.026 -1.897 . . . . 10.0 111.798 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -134.01 162.62 31.58 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 127.724 3.14 . . . . 10.0 110.282 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 165.4 133.7 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 125.529 1.768 . . . . 10.0 111.653 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 55.37 36.25 26.7 Favored 'General case' 0 CA--C 1.5 -0.957 0 O-C-N 126.536 2.397 . . . . 10.0 114.41 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.02 20.04 78.71 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 114.922 -1.035 . . . . 10.0 111.529 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.63 136.13 54.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.999 1.646 . . . . 10.0 109.139 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 25.6 m -116.19 141.27 48.36 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 126.193 2.183 . . . . 10.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.1 149.06 29.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 125.602 1.814 . . . . 10.0 109.225 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 122.68 16.96 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 113.527 -1.67 . . . . 10.0 114.22 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -100.2 136.65 39.77 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 125.961 2.038 . . . . 10.0 108.46 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.42 94.72 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-O 125.854 2.74 . . . . 10.0 110.996 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 10' ' ' MET . 7.0 m-85 -89.74 170.14 10.69 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 111.539 -2.573 . . . . 10.0 111.782 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -154.39 135.57 13.98 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.991 -1.459 . . . . 10.0 113.966 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 134' ' ' HIS . 12.5 tttt -59.11 153.38 18.15 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 114.121 -1.399 . . . . 10.0 111.165 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 t -134.16 -52.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 CA-C-N 113.765 -1.561 . . . . 10.0 110.331 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 132' ' ' LYS . 0.6 OUTLIER . . . . . 0 CA--C 1.506 -0.721 0 CA-C-O 115.131 -2.366 . . . . 10.0 108.527 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.422 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo . . . . . 0 N--CA 1.502 1.975 0 N-CA-C 113.066 0.372 . . . . 10.0 113.066 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 t -70.83 124.51 27.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 O-C-N 128.916 3.885 . . . . 10.0 108.044 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.41 119.88 23.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.236 -1.347 . . . . 10.0 114.071 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -103.21 -5.29 23.29 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.302 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -61.18 153.09 26.9 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 125.136 2.398 . . . . 10.0 110.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 114.7 -173.67 14.95 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 112.456 -2.156 . . . . 10.0 110.06 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.502 ' CD1' ' HG2' ' A' ' 41' ' ' GLU . 8.0 m-85 -115.38 121.93 44.29 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 114.351 -0.925 . . . . 10.0 112.867 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.486 ' CZ3' HD13 ' A' ' 115' ' ' LEU . 4.8 m0 -105.97 112.39 25.41 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 126.657 2.473 . . . . 10.0 111.719 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HB3' ' CG2' ' A' ' 133' ' ' VAL . 13.6 pttp -93.39 148.32 22.16 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttm -90.82 144.23 25.92 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 123.644 1.688 . . . . 10.0 113.752 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.03 -39.87 5.39 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 111.339 -2.664 . . . . 10.0 112.368 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -171.57 -179.0 2.42 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 112.912 -1.949 . . . . 10.0 111.184 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.46 147.43 19.01 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 112.681 -2.054 . . . . 10.0 110.322 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -117.87 138.24 52.25 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 113.225 -1.807 . . . . 10.0 112.979 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 61.03 34.05 19.42 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 123.317 1.532 . . . . 10.0 109.703 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -69.59 -41.04 76.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 113.723 -1.581 . . . . 10.0 111.853 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.87 -29.84 62.32 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.958 -0.565 . . . . 10.0 112.01 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.31 -30.07 60.24 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 125.419 1.699 . . . . 10.0 111.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.48 ' CZ ' ' HE1' ' A' ' 119' ' ' MET . 0.5 OUTLIER -73.32 -30.61 63.48 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 110.753 -2.93 . . . . 10.0 112.833 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.6 -40.47 56.45 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 125.921 2.013 . . . . 10.0 111.683 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -21.55 63.92 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.383 2.302 . . . . 10.0 113.9 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.15 58.48 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.997 -2.365 . . . . 10.0 112.672 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -97.75 20.1 12.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 O-C-N 125.454 1.721 . . . . 10.0 114.184 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 57.76 43.35 22.07 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 113.392 -1.731 . . . . 10.0 114.158 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 29' ' ' LEU . 5.6 t -78.95 150.97 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 CA-C-N 111.052 -2.795 . . . . 10.0 113.72 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -67.96 151.16 47.54 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-O 123.655 1.693 . . . . 10.0 112.431 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -67.26 -21.86 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 114.915 1.45 . . . . 10.0 114.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.17 53.78 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 110.784 -2.916 . . . . 10.0 110.365 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -77.28 -22.68 51.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 111.89 -2.414 . . . . 10.0 109.995 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -30.26 42.43 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.067 2.729 . . . . 10.0 111.731 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -69.72 -38.42 76.89 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 110.544 -3.026 . . . . 10.0 113.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.453 HG23 ' CZ ' ' A' ' 57' ' ' PHE . 45.8 mt -77.08 -25.13 15.33 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 111.868 -2.424 . . . . 10.0 111.986 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.06 66.83 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 125.344 2.497 . . . . 10.0 113.569 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.32 -26.71 61.16 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 111.025 -2.807 . . . . 10.0 113.21 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -104.33 14.44 30.22 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 110.421 -3.081 . . . . 10.0 112.158 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mt -98.79 128.18 44.94 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 114.169 -1.378 . . . . 10.0 112.407 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -143.28 64.53 14.12 Favored Pre-proline 0 N--CA 1.449 -0.522 0 CA-C-N 113.777 -1.556 . . . . 10.0 113.062 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -74.85 152.3 41.38 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-N 114.308 -0.997 . . . . 10.0 114.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.22 120.24 41.8 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 110.353 -3.112 . . . . 10.0 108.3 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -82.35 156.47 24.22 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 124.891 2.282 . . . . 10.0 110.671 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' HG2' ' CD1' ' A' ' 7' ' ' TYR . 70.5 mt-10 -140.06 103.76 4.69 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 110.272 -3.149 . . . . 10.0 110.618 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.425 ' CD1' ' CH2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -100.67 147.41 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 CA-C-N 110.621 -2.99 . . . . 10.0 110.792 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -150.03 90.97 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 O-C-N 128.614 3.696 . . . . 10.0 113.186 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -86.55 118.0 25.69 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 110.007 -3.269 . . . . 10.0 108.407 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -119.01 42.45 2.81 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.617 -1.174 . . . . 10.0 113.846 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.9 106.73 0.21 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 108.92 -1.672 . . . . 10.0 108.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 70.56 -66.13 0.3 Allowed 'General case' 0 C--N 1.343 0.316 0 O-C-N 125.523 1.367 . . . . 10.0 108.26 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.57 149.77 45.56 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 126.403 2.314 . . . . 10.0 109.201 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 ttp -153.53 153.02 31.61 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 127.512 3.007 . . . . 10.0 111.948 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 146.24 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 127.282 2.864 . . . . 10.0 109.829 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.7 mt -137.2 100.58 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.668 1.187 . . . . 10.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -103.96 112.78 25.9 Favored 'General case' 0 C--O 1.208 -1.079 0 O-C-N 128.922 3.889 . . . . 10.0 114.58 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 m -98.8 108.91 21.72 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 124.111 1.91 . . . . 10.0 109.164 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.49 93.66 7.33 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 110.733 -2.939 . . . . 10.0 114.703 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.02 41.17 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 110.628 -2.987 . . . . 10.0 108.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -88.42 54.72 3.14 Favored 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 125.595 1.809 . . . . 10.0 112.876 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' CZ ' HG23 ' A' ' 32' ' ' ILE . 32.4 m-85 -143.85 -71.45 0.29 Allowed 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 127.406 2.941 . . . . 10.0 112.281 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 4.98 1.98 Allowed 'General case' 0 CA--C 1.494 -1.183 0 C-N-CA 116.998 -1.881 . . . . 10.0 115.645 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.3 172.74 0.13 Allowed 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 117.315 -1.754 . . . . 10.0 113.651 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 177.3 105.71 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.847 1.785 . . . . 10.0 112.305 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.93 138.99 53.14 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 CA-C-N 113.855 -1.52 . . . . 10.0 112.92 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 mtp -146.56 158.37 43.89 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.181 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.4 46.64 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 125.269 1.605 . . . . 10.0 107.962 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.29 93.86 4.34 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 115.589 1.7 . . . . 10.0 115.589 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.3 93.35 1.48 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 113.255 -1.793 . . . . 10.0 108.481 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.32 133.65 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 CA-C-N 114.616 -1.174 . . . . 10.0 113.804 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.39 -15.13 62.02 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 127.501 3.001 . . . . 10.0 113.982 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -106.67 154.0 21.58 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 125.352 1.266 . . . . 10.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.7 126.4 52.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.082 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -142.06 176.62 8.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.731 -1.122 . . . . 10.0 113.258 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.22 156.79 33.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 114.921 -1.036 . . . . 10.0 111.657 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -136.43 100.95 4.51 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 125.799 1.937 . . . . 10.0 108.855 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.36 111.31 23.67 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 115.112 1.523 . . . . 10.0 115.112 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.0 mt -113.32 56.9 0.68 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.051 -1.886 . . . . 10.0 109.167 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.8 15.97 10.21 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 112.551 -2.113 . . . . 10.0 114.123 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.32 12.33 5.5 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 113.66 -1.609 . . . . 10.0 110.781 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.51 -61.71 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.02 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.97 15.3 1.72 Allowed 'General case' 0 CA--C 1.502 -0.887 0 O-C-N 127.713 3.133 . . . . 10.0 113.647 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 37.16 87.97 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 O-C-N 125.876 1.985 . . . . 10.0 114.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -58.69 2.12 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.628 1.344 . . . . 10.0 114.628 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mttt 68.99 107.34 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 128.937 3.898 . . . . 10.0 108.468 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.8 -168.13 2.9 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 126.728 2.518 . . . . 10.0 112.556 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mmt -124.82 147.39 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 125.14 1.525 . . . . 10.0 107.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 m -143.18 143.39 31.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 124.622 2.153 . . . . 10.0 113.557 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.1 m -141.22 132.67 26.84 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.011 -2.359 . . . . 10.0 110.059 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.1 t -100.92 115.47 42.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 127.853 3.221 . . . . 10.0 110.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.31 137.38 46.39 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 113.499 -1.682 . . . . 10.0 109.136 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 116.08 21.43 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 127.209 2.818 . . . . 10.0 108.159 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.8 -4.87 15.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 127.864 3.227 . . . . 10.0 111.8 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.41 138.32 3.92 Favored Glycine 0 C--O 1.218 -0.869 0 O-C-N 125.092 1.495 . . . . 10.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.89 -74.44 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 125.853 1.561 . . . . 10.0 111.472 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.16 146.63 24.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.386 2.929 . . . . 10.0 108.29 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.46 145.56 24.41 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 125.855 1.972 . . . . 10.0 111.966 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -123.42 122.09 37.4 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 126.313 2.258 . . . . 10.0 112.777 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.2 m -124.38 92.53 3.68 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 114.263 -1.335 . . . . 10.0 109.09 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.2 t -90.76 139.54 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 124.54 1.15 . . . . 10.0 111.026 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -115.53 109.26 17.55 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.343 -2.208 . . . . 10.0 108.849 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.19 108.49 16.47 Favored 'General case' 0 C--O 1.207 -1.154 0 CA-C-O 122.905 1.335 . . . . 10.0 114.211 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.42 -137.15 3.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 110.719 -2.946 . . . . 10.0 111.704 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.12 -43.09 3.61 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 113.457 -1.372 . . . . 10.0 114.232 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.0 169.98 15.81 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 125.889 1.993 . . . . 10.0 113.82 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -84.95 165.39 17.65 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 109.842 -3.345 . . . . 10.0 109.694 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.01 -98.05 2.11 Favored Glycine 0 C--O 1.213 -1.183 0 CA-C-N 111.315 -2.675 . . . . 10.0 109.717 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 25.72 69.95 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.781 1 O-C-N 130.046 4.027 . . . . 10.0 111.994 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.89 111.17 0.39 Allowed Glycine 0 C--N 1.351 1.371 0 CA-C-N 111.528 -2.578 . . . . 10.0 114.461 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.528 ' CE2' ' CG ' ' A' ' 119' ' ' MET . 10.7 m0 -90.32 138.02 31.87 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 124.995 2.331 . . . . 10.0 112.968 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.93 115.0 22.9 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 112.193 -2.276 . . . . 10.0 112.069 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -89.02 152.27 21.79 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.932 -1.94 . . . . 10.0 110.978 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -161.42 96.53 1.07 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.513 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.06 152.13 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 113.376 -1.738 . . . . 10.0 109.993 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -160.2 97.43 1.25 Allowed 'General case' 0 C--N 1.345 0.38 0 CA-C-N 114.037 -1.438 . . . . 10.0 112.398 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 58.39 -104.14 0.44 Allowed Glycine 0 C--O 1.207 -1.541 0 O-C-N 126.238 2.211 . . . . 10.0 113.329 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.08 42.97 3.07 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.307 1.527 . . . . 10.0 110.042 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -157.37 127.39 6.25 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 111.835 -2.439 . . . . 10.0 113.058 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.486 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -103.53 104.8 14.9 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 113.208 -1.814 . . . . 10.0 109.512 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -91.74 80.94 5.26 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.334 0.865 . . . . 10.0 113.334 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.508 HD23 ' CE3' ' A' ' 106' ' ' TRP . 1.1 tp -81.51 141.21 34.03 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-O 125.763 2.696 . . . . 10.0 113.648 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -106.98 109.58 21.51 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 109.753 -3.385 . . . . 10.0 108.292 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.528 ' CG ' ' CE2' ' A' ' 106' ' ' TRP . 0.8 OUTLIER -107.43 119.68 40.09 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 125.575 1.797 . . . . 10.0 115.112 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -115.89 142.52 46.67 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.775 -1.557 . . . . 10.0 109.899 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -167.59 105.9 0.53 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.491 -1.231 . . . . 10.0 112.672 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.48 36.67 2.17 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 110.234 -3.166 . . . . 10.0 114.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.58 -1.12 89.19 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 112.716 -2.038 . . . . 10.0 111.615 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.65 123.13 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 C-N-CA 118.87 -1.132 . . . . 10.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 74.3 m -91.84 122.07 34.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.691 2.495 . . . . 10.0 112.818 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 130.25 41.3 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 127.638 3.086 . . . . 10.0 109.306 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -119.68 114.73 22.63 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 123.717 1.722 . . . . 10.0 114.109 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -93.64 140.29 29.8 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 113.936 -1.484 . . . . 10.0 108.589 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.42 114.08 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 CA-C-N 113.514 -1.676 . . . . 10.0 114.648 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.474 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 10.0 m-30 -101.21 175.52 5.56 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.62 -0.832 . . . . 10.0 112.123 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 9' ' ' LYS . 10.4 tptm -154.33 109.62 3.13 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 122.984 1.374 . . . . 10.0 108.814 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -55.25 108.42 0.41 Allowed 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.418 -1.719 . . . . 10.0 113.474 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 23.6 t -81.59 -24.75 9.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 126.802 2.564 . . . . 10.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 113.541 -3.123 . . . . 10.0 111.944 179.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.558 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 N--CA 1.499 1.812 0 N-CA-C 108.628 -1.335 . . . . 10.0 108.628 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.483 ' CG2' ' CZ2' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -31.73 104.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.493 1 O-C-N 130.21 4.694 . . . . 10.0 113.767 -179.935 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.03 107.65 12.99 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-O 126.645 3.117 . . . . 10.0 113.059 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CZ ' HD12 ' A' ' 93' ' ' LEU . 1.5 m-85 -99.97 -7.75 24.77 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.839 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.39 142.42 55.43 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 125.449 1.718 . . . . 10.0 110.466 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.75 -158.13 27.58 Favored Glycine 0 CA--C 1.497 -1.033 0 CA-C-N 111.288 -2.687 . . . . 10.0 113.015 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 41' ' ' GLU . 3.1 m-85 -130.34 99.36 5.0 Favored 'General case' 0 CA--C 1.496 -1.135 0 O-C-N 127.02 2.247 . . . . 10.0 113.094 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.514 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 1.1 m0 -98.0 135.82 39.16 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 123.814 1.768 . . . . 10.0 110.074 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.99 157.27 38.26 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 110.831 -2.895 . . . . 10.0 108.822 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -55.11 179.99 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 127.608 3.068 . . . . 10.0 114.047 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' HG ' ' HB2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -162.37 -51.98 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.276 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -164.15 165.84 21.77 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 125.603 1.814 . . . . 10.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.34 117.33 27.5 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 111.51 -2.586 . . . . 10.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.74 129.01 54.3 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.694 -1.593 . . . . 10.0 112.492 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 47.3 37.75 6.29 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 125.476 1.735 . . . . 10.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -78.86 -21.35 47.66 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-N 113.649 -1.614 . . . . 10.0 111.658 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.67 -45.85 28.02 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 114.115 1.154 . . . . 10.0 114.115 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -21.87 64.38 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.048 2.832 . . . . 10.0 113.849 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.452 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 80.1 t80 -75.78 -30.23 59.04 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 111.832 -2.44 . . . . 10.0 114.412 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.5 mt -74.05 -28.75 61.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 128.972 3.92 . . . . 10.0 113.022 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -72.99 -22.37 60.69 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 110.423 -3.08 . . . . 10.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.5 67.49 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.127 1.517 . . . . 10.0 114.359 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.69 12.73 34.4 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 112.491 -2.14 . . . . 10.0 114.459 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 49.38 30.96 3.55 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 124.089 1.9 . . . . 10.0 114.487 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -62.42 147.33 11.69 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 CA-C-N 111.998 -2.364 . . . . 10.0 110.652 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 1.3 m120 -55.54 149.07 14.35 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.025 2.703 . . . . 10.0 111.41 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.77 -26.05 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 111.315 -2.675 . . . . 10.0 114.142 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.02 -41.58 61.61 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 125.457 2.551 . . . . 10.0 112.475 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD22 ' H41' ' A' ' 135' ' ' RTL . 1.3 tp -71.51 -29.59 64.96 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 112.323 -2.217 . . . . 10.0 112.823 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -74.37 -24.37 59.13 Favored 'General case' 0 CA--C 1.514 -0.422 0 O-C-N 126.35 2.281 . . . . 10.0 110.273 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -78.21 -39.83 39.31 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 110.793 -2.912 . . . . 10.0 109.43 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.504 HG22 ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mt -74.51 -36.59 42.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 126.971 2.669 . . . . 10.0 112.978 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.15 -21.65 63.99 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.367 1.247 . . . . 10.0 114.367 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.84 -29.49 64.46 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 127.454 2.971 . . . . 10.0 109.836 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.6 mt -89.6 -24.77 21.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HD3' ' A' ' 38' ' ' PRO . 4.0 pp -96.66 166.42 11.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 126.572 2.42 . . . . 10.0 114.983 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -150.92 102.11 3.03 Favored Pre-proline 0 C--O 1.214 -0.802 0 O-C-N 128.611 3.694 . . . . 10.0 107.684 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 9.2 Cg_endo -77.05 147.8 26.97 Favored 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-O 126.746 2.728 . . . . 10.0 115.539 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -108.23 128.55 54.82 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 110.13 -3.214 . . . . 10.0 109.019 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -107.26 144.42 34.09 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 7' ' ' TYR . 8.9 mt-10 -125.22 101.71 7.12 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 112.264 -2.244 . . . . 10.0 108.496 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 HD12 ' CE2' ' A' ' 8' ' ' TRP . 4.6 mp -106.71 142.86 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.867 0 CA-C-O 124.588 2.137 . . . . 10.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.31 139.38 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 CA-C-N 109.963 -3.29 . . . . 10.0 111.388 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -128.88 102.09 6.38 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.871 -2.877 . . . . 10.0 108.816 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -88.44 -33.16 17.95 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 114.335 -1.302 . . . . 10.0 111.363 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.49 -92.91 0.09 OUTLIER Glycine 0 C--O 1.211 -1.288 0 O-C-N 127.052 2.72 . . . . 10.0 113.033 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.72 -45.79 27.98 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.855 -2.672 . . . . 10.0 110.723 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -89.3 164.04 15.09 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.836 -2.438 . . . . 10.0 112.825 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.7 ttm -156.08 102.59 2.15 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.104 -1.407 . . . . 10.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.7 mt -87.22 136.14 23.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 125.746 1.904 . . . . 10.0 110.098 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mt -114.81 128.9 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 128.39 3.556 . . . . 10.0 110.291 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -117.7 123.53 46.3 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 111.214 -2.721 . . . . 10.0 110.144 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -119.77 118.38 30.69 Favored 'General case' 0 CA--C 1.494 -1.203 0 O-C-N 128.441 3.588 . . . . 10.0 108.897 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.29 90.9 3.5 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.191 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.0 p -103.17 0.59 31.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 124.412 2.054 . . . . 10.0 109.783 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 72.48 -61.58 0.49 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 111.827 -2.442 . . . . 10.0 110.106 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -49.57 -46.61 49.14 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 123.988 1.851 . . . . 10.0 110.82 179.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.01 107.48 2.08 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 113.381 -1.736 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 59' ' ' ASN . 1.2 m120 -83.14 140.86 32.36 Favored 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 126.097 2.123 . . . . 10.0 109.829 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.8 115.8 26.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 113.576 -1.647 . . . . 10.0 110.4 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -129.66 118.91 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.818 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 mtt -137.25 157.92 45.56 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 110.47 -3.059 . . . . 10.0 108.337 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -112.13 95.14 5.29 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 125.801 2.715 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.9 150.34 46.86 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 110.691 -2.959 . . . . 10.0 111.547 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' HB2' ' HB3' ' A' ' 68' ' ' LYS . 31.5 mt-30 -137.74 109.02 6.85 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 112.189 -2.278 . . . . 10.0 111.011 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.82 122.48 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 O-C-N 127.727 3.142 . . . . 10.0 113.371 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.77 -2.85 87.75 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 112.927 -1.942 . . . . 10.0 114.473 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 65' ' ' GLN . 1.2 ttmt -114.31 147.58 38.86 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.259 1.028 . . . . 10.0 111.347 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.87 141.73 28.1 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 112.972 -1.922 . . . . 10.0 113.759 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 20.9 p90 -161.35 163.7 30.54 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 126.775 2.547 . . . . 10.0 110.556 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.78 158.79 35.47 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.281 1.613 . . . . 10.0 112.811 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.3 OUTLIER -138.62 96.3 3.13 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 111.306 -2.679 . . . . 10.0 111.95 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.81 107.9 19.57 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 110.813 -2.903 . . . . 10.0 112.602 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASP . 16.5 mt -102.94 62.05 0.8 Allowed 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 109.893 -3.321 . . . . 10.0 112.305 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -104.33 24.74 11.09 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 125.317 2.484 . . . . 10.0 112.714 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.16 17.63 5.36 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 109.886 -3.324 . . . . 10.0 109.757 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.1 mt -151.06 -60.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 112.92 -1.64 . . . . 10.0 114.336 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -131.74 -1.37 3.81 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 115.836 1.791 . . . . 10.0 115.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' LEU . 18.3 m-20 51.59 95.24 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 124.167 1.937 . . . . 10.0 114.711 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.08 128.08 0.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 110.642 -2.981 . . . . 10.0 112.126 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -90.83 135.6 33.62 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 125.401 1.688 . . . . 10.0 112.379 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 72' ' ' GLU . 64.6 m -147.21 171.55 15.2 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 112.83 -1.986 . . . . 10.0 111.843 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 mtp -115.46 151.62 34.44 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.81 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 m -132.56 147.22 52.35 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.32 127.14 23.77 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 124.502 1.121 . . . . 10.0 109.709 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.1 t -103.02 136.43 35.65 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 125.541 2.591 . . . . 10.0 109.87 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.81 147.25 33.84 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 111.018 -2.81 . . . . 10.0 112.191 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.483 ' CZ2' ' CG2' ' A' ' 2' ' ' VAL . 37.7 m0 -95.83 153.57 17.68 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 113.932 -1.485 . . . . 10.0 109.732 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -123.57 -57.53 1.64 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 113.752 -1.567 . . . . 10.0 112.671 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.53 83.63 0.1 Allowed Glycine 0 C--O 1.21 -1.405 0 O-C-N 126.571 2.42 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 52.96 32.71 13.16 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.356 -2.422 . . . . 10.0 111.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -142.17 122.95 14.32 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 127.624 3.078 . . . . 10.0 108.688 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.463 HD12 ' CZ ' ' A' ' 4' ' ' PHE . 9.4 tt -88.95 107.69 19.16 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 126.531 2.394 . . . . 10.0 110.223 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.89 165.5 11.15 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 125.827 1.954 . . . . 10.0 110.435 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.8 t -137.2 104.66 5.47 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 125.597 1.811 . . . . 10.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.6 t -99.99 100.86 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 109.823 -3.353 . . . . 10.0 113.88 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -103.29 114.55 28.93 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 111.202 -2.726 . . . . 10.0 107.986 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -64.21 -64.46 0.88 Allowed 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.131 1.52 . . . . 10.0 112.422 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 44.42 -142.65 2.87 Favored Glycine 0 N--CA 1.471 1.026 0 O-C-N 124.89 1.369 . . . . 10.0 112.814 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -113.56 148.43 36.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 113.437 -1.382 . . . . 10.0 112.93 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt 68.92 179.11 0.24 Allowed 'General case' 0 C--O 1.217 -0.608 0 O-C-N 128.09 3.368 . . . . 10.0 109.57 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.76 163.87 12.63 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 126.692 2.495 . . . . 10.0 109.643 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.01 -40.88 2.27 Favored Glycine 0 C--N 1.346 1.098 0 O-C-N 125.526 1.766 . . . . 10.0 112.644 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -39.89 130.33 2.02 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.096 1.704 . . . . 10.0 112.213 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.93 141.97 6.19 Favored Glycine 0 CA--C 1.497 -1.054 0 O-C-N 126.672 2.483 . . . . 10.0 112.22 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -117.32 -177.65 3.27 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 126.888 3.232 . . . . 10.0 114.135 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.61 146.61 19.66 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 110.605 -2.998 . . . . 10.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 162.26 32.51 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.89 -2.868 . . . . 10.0 110.069 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -170.06 119.69 0.61 Allowed 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 112.992 -1.913 . . . . 10.0 110.376 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 79.9 mt -87.64 109.02 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.67 -1.15 . . . . 10.0 113.477 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.39 118.29 26.37 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 127.862 3.226 . . . . 10.0 114.308 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 56.64 -100.93 0.12 Allowed Glycine 0 C--N 1.345 1.063 0 CA-C-N 111.695 -2.502 . . . . 10.0 111.202 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.94 31.11 4.23 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-O 124.085 1.897 . . . . 10.0 112.234 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -125.31 165.0 19.13 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.02 -2.354 . . . . 10.0 109.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.31 75.9 1.46 Allowed 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 128.351 3.532 . . . . 10.0 109.227 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -69.33 115.98 9.23 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.105 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.69 123.34 48.07 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 111.161 -2.745 . . . . 10.0 108.193 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.44 100.72 8.99 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 127.757 3.161 . . . . 10.0 111.521 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 25.4 mtp -90.37 138.25 31.7 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 127.341 2.901 . . . . 10.0 110.342 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 mtp-105 -129.18 140.99 51.29 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 126.49 2.369 . . . . 10.0 109.152 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -176.27 121.9 0.16 Allowed 'General case' 0 C--O 1.215 -0.724 0 O-C-N 125.352 1.657 . . . . 10.0 112.815 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.59 25.66 13.18 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 111.313 -2.676 . . . . 10.0 112.125 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.69 9.21 87.06 Favored Glycine 0 CA--C 1.499 -0.908 0 CA-C-N 113.532 -1.667 . . . . 10.0 112.693 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.28 139.74 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 112.796 -1.702 . . . . 10.0 108.467 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 m -110.48 127.61 55.23 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 125.412 1.695 . . . . 10.0 115.03 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 36.5 t -136.26 125.05 23.94 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.027 -2.806 . . . . 10.0 109.004 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -117.29 83.83 2.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.168 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -69.5 136.57 51.62 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 118.335 -1.346 . . . . 10.0 107.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.91 149.37 12.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 CA-C-O 126.498 3.047 . . . . 10.0 113.815 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -149.83 133.52 16.78 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 109.925 -3.307 . . . . 10.0 111.368 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.42 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 2.3 tptm -112.5 104.75 12.86 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.524 1.765 . . . . 10.0 114.969 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 131.51 50.22 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.28 -1.327 . . . . 10.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.57 -41.76 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 N-CA-C 114.99 1.478 . . . . 10.0 114.99 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 . . . . . 0 C--O 1.259 1.589 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.213 -179.771 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.498 H161 ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo . . . . . 0 N--CA 1.494 1.547 0 N-CA-C 109.619 -0.954 . . . . 10.0 109.619 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 t -144.74 23.89 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.145 0 O-C-N 127.874 3.234 . . . . 10.0 112.077 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.97 104.27 0.03 OUTLIER 'General case' 0 C--O 1.21 -0.999 1 O-C-N 130.708 5.005 . . . . 10.0 113.338 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.73 -11.95 52.35 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 112.585 -2.098 . . . . 10.0 111.378 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -63.52 114.3 3.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 113.458 -1.701 . . . . 10.0 109.618 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.57 -156.27 26.49 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 111.348 -2.66 . . . . 10.0 111.522 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -124.35 100.55 6.74 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 111.539 -2.33 . . . . 10.0 108.673 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CZ3' HD12 ' A' ' 115' ' ' LEU . 7.1 m95 -104.53 121.66 43.94 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 119.922 -0.711 . . . . 10.0 111.661 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' CE ' HG22 ' A' ' 133' ' ' VAL . 42.8 mmtt -95.2 173.35 7.6 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.826 -1.988 . . . . 10.0 108.753 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mtm -125.57 124.53 41.47 Favored 'General case' 0 C--O 1.211 -0.937 1 O-C-N 130.049 4.593 . . . . 10.0 108.2 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.485 HD22 ' CB ' ' A' ' 131' ' ' LYS . 2.6 mm? -110.02 -40.34 4.77 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.205 2.907 . . . . 10.0 115.398 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.0 p -135.88 170.02 16.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 109.473 -3.512 . . . . 10.0 114.821 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.51 176.24 8.14 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 110.91 -2.859 . . . . 10.0 108.438 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -147.92 -53.48 0.2 Allowed 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.933 2.646 . . . . 10.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -134.58 35.14 3.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 128.34 3.525 . . . . 10.0 114.511 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -68.33 -25.2 64.99 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 125.704 2.668 . . . . 10.0 114.349 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.81 -35.94 62.46 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.572 -2.104 . . . . 10.0 109.307 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -25.03 44.56 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-O 123.972 1.844 . . . . 10.0 113.519 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.423 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 66.4 t80 -73.02 -24.74 60.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.738 -2.483 . . . . 10.0 113.874 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.58 -33.34 41.78 Favored 'General case' 0 CA--C 1.493 -1.223 0 CA-C-O 124.181 1.944 . . . . 10.0 112.967 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -25.38 62.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 123.857 1.789 . . . . 10.0 110.266 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.19 62.66 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.23 6.69 17.54 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 124.682 1.239 . . . . 10.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.97 84.31 0.11 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 125.061 2.362 . . . . 10.0 112.16 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 t -116.65 144.5 24.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 113.379 -1.737 . . . . 10.0 109.646 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -61.99 154.9 25.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.93 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.2 -25.61 34.3 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-O 124.303 2.001 . . . . 10.0 114.733 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.77 -31.31 56.96 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.012 -2.358 . . . . 10.0 114.129 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.05 -23.32 44.32 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 111.144 -2.753 . . . . 10.0 112.005 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 31' ' ' LYS . 2.4 ppt_? -76.98 -24.06 52.28 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.808 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -76.23 -34.49 59.21 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 124.605 1.19 . . . . 10.0 110.812 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -78.01 -27.09 14.77 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 CA-C-O 124.189 1.947 . . . . 10.0 112.152 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.29 54.28 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 111.522 -2.581 . . . . 10.0 112.11 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -80.04 -32.46 39.46 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.002 2.81 . . . . 10.0 108.928 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 mt -81.79 -0.33 42.72 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 111.379 -2.646 . . . . 10.0 111.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.63 130.36 52.65 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 123.403 1.573 . . . . 10.0 113.287 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -152.72 63.25 4.79 Favored Pre-proline 0 C--O 1.208 -1.089 0 CA-C-N 113.131 -1.849 . . . . 10.0 109.518 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 172.63 13.94 Favored 'Trans proline' 0 CA--C 1.498 -1.317 0 C-N-CA 122.572 2.181 . . . . 10.0 111.393 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.6 132.0 54.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 111.314 -2.675 . . . . 10.0 109.413 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HE2' ' CE2' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -87.97 128.71 35.38 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 111.436 -2.62 . . . . 10.0 111.428 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -110.56 99.97 8.85 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 HG12 ' CD1' ' A' ' 8' ' ' TRP . 7.2 mm -88.91 137.03 22.02 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-O 121.893 0.854 . . . . 10.0 112.558 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -137.56 73.89 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 111.782 -2.463 . . . . 10.0 111.414 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.83 146.04 33.91 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 125.841 2.734 . . . . 10.0 113.413 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -151.98 75.79 1.16 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-N 110.552 -3.022 . . . . 10.0 111.683 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.96 -91.59 0.01 OUTLIER Glycine 0 C--O 1.211 -1.32 0 CA-C-N 112.626 -2.079 . . . . 10.0 114.104 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.06 49.78 0.81 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.116 -0.542 . . . . 10.0 110.579 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 17.4 t-160 -175.42 111.11 0.12 Allowed 'General case' 0 C--N 1.349 0.573 0 O-C-N 128.017 3.323 . . . . 10.0 111.162 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.5 mtp -130.88 90.79 2.95 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.873 1.358 . . . . 10.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.418 ' CD1' ' CE1' ' A' ' 48' ' ' HIS . 57.5 mt -81.74 122.22 36.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 126.216 2.197 . . . . 10.0 113.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.68 123.95 64.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.112 0 CA-C-N 113.348 -1.751 . . . . 10.0 111.288 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -118.29 144.88 45.48 Favored 'General case' 0 C--O 1.212 -0.868 0 CA-C-N 111.753 -2.476 . . . . 10.0 112.681 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -123.0 98.58 5.96 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 109.708 -3.406 . . . . 10.0 110.436 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -89.71 88.77 7.51 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 113.824 -1.534 . . . . 10.0 112.448 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 p -97.77 -43.01 7.33 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 127.603 3.064 . . . . 10.0 112.278 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 93.87 9.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.703 1 O-C-N 129.551 4.282 . . . . 10.0 111.636 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -59.38 2.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 109.8 -3.364 . . . . 10.0 109.701 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -156.2 49.38 0.5 Allowed 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.344 -3.116 . . . . 10.0 111.013 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -10.57 107.24 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.669 1 O-C-N 129.7 4.375 . . . . 10.0 115.044 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.38 111.43 23.78 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 113.112 -1.858 . . . . 10.0 114.835 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.75 126.41 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 113.488 -1.687 . . . . 10.0 109.788 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.4 mtp -125.82 123.66 39.2 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.368 3.542 . . . . 10.0 114.59 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -92.53 71.51 5.07 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 126.563 2.415 . . . . 10.0 108.683 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CD2' HG23 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -72.8 88.52 1.32 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 124.245 1.974 . . . . 10.0 113.854 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -90.14 116.78 28.41 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 113.052 -1.886 . . . . 10.0 109.119 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 124.09 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.71 0 CA-C-N 114.22 -1.355 . . . . 10.0 113.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 5.34 73.86 Favored Glycine 0 C--N 1.339 0.733 0 O-C-N 126.219 2.199 . . . . 10.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.6 141.57 46.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 112.338 -1.931 . . . . 10.0 111.259 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.24 137.37 48.07 Favored 'General case' 0 C--O 1.209 -1.049 0 O-C-N 126.697 2.498 . . . . 10.0 112.854 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.508 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 38.0 p90 -156.96 177.38 11.57 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 110.31 -3.132 . . . . 10.0 114.029 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.82 150.39 29.21 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 125.762 2.696 . . . . 10.0 114.244 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -114.63 146.79 40.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 111.319 -2.673 . . . . 10.0 109.666 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.47 106.32 10.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 110.415 -3.084 . . . . 10.0 111.648 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 79' ' ' ASP . 1.4 mp -97.04 37.23 1.33 Allowed 'General case' 0 C--O 1.21 -1.022 0 O-C-N 126.232 2.208 . . . . 10.0 110.45 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -0.14 19.6 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.943 -1.026 . . . . 10.0 113.634 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.64 19.8 6.99 Favored Glycine 0 C--O 1.219 -0.788 0 N-CA-C 108.66 -1.776 . . . . 10.0 108.66 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.442 HG21 ' C18' ' A' ' 135' ' ' RTL . 11.3 mt -134.75 -60.84 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-O 123.434 1.587 . . . . 10.0 109.337 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.81 20.72 0.32 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.954 -1.93 . . . . 10.0 114.106 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 37.92 81.47 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 125.414 1.696 . . . . 10.0 114.214 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.472 ' HD2' ' CE ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -116.04 -60.46 1.86 Allowed 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 126.966 2.666 . . . . 10.0 113.969 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.99 107.22 0.07 Allowed 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 128.259 3.474 . . . . 10.0 110.481 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.37 -171.54 2.73 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 111.209 -2.723 . . . . 10.0 112.787 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 10.0 mtt -104.71 177.63 4.79 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.735 -2.938 . . . . 10.0 107.651 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.508 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -162.92 139.31 7.32 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 127.92 3.262 . . . . 10.0 113.678 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.68 148.97 30.68 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 109.783 -3.371 . . . . 10.0 109.441 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.516 HG23 ' CD2' ' A' ' 64' ' ' PHE . 2.8 t -135.23 137.7 49.77 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 112.09 -2.323 . . . . 10.0 111.559 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -132.53 173.01 11.77 Favored 'General case' 0 C--O 1.217 -0.653 1 O-C-N 129.919 4.512 . . . . 10.0 110.009 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -130.03 120.82 25.32 Favored 'General case' 0 CA--C 1.506 -0.719 0 O-C-N 126.496 2.373 . . . . 10.0 112.573 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -119.85 94.99 4.58 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.246 -1.797 . . . . 10.0 113.983 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.75 -128.69 8.77 Favored Glycine 0 CA--C 1.5 -0.849 0 O-C-N 126.39 2.306 . . . . 10.0 111.102 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.64 28.52 5.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.252 -2.474 . . . . 10.0 110.083 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -131.4 167.3 19.53 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.609 -1.632 . . . . 10.0 109.464 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 tp -132.07 128.9 39.2 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.307 -1.315 . . . . 10.0 111.384 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.83 140.29 34.62 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 126.493 2.371 . . . . 10.0 107.85 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 168.65 12.54 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 110.996 -2.82 . . . . 10.0 111.791 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.44 144.82 22.04 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 113.032 -1.895 . . . . 10.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -145.93 83.54 1.64 Allowed 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.599 -3.0 . . . . 10.0 109.91 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 113.12 21.69 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 125.029 2.347 . . . . 10.0 113.318 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.64 61.57 0.57 Allowed Glycine 0 C--O 1.211 -1.341 0 N-CA-C 107.913 -2.075 . . . . 10.0 107.913 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.28 83.71 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 124.071 1.891 . . . . 10.0 113.481 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' CE ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -166.34 171.2 12.31 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.964 -2.38 . . . . 10.0 111.479 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -106.82 129.48 54.66 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 128.008 3.317 . . . . 10.0 112.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 44.24 77.25 0.1 OUTLIER Glycine 0 C--O 1.208 -1.507 0 CA-C-O 126.017 3.01 . . . . 10.0 113.973 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -177.28 3.47 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 109.059 -3.57 . . . . 10.0 108.657 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.71 146.01 11.69 Favored Glycine 0 N--CA 1.472 1.096 0 CA-C-N 112.307 -2.224 . . . . 10.0 111.846 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -101.82 158.77 15.88 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 112.696 -1.752 . . . . 10.0 109.937 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 108' ' ' GLN . 0.4 OUTLIER -146.8 169.88 18.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.236 2.21 . . . . 10.0 108.842 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' N ' ' CG2' ' A' ' 107' ' ' THR . 2.3 mt-30 -149.82 149.7 30.9 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 126.355 2.285 . . . . 10.0 109.983 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -158.55 139.9 13.32 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 113.291 -1.777 . . . . 10.0 111.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.5 127.11 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 125.878 1.986 . . . . 10.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -98.75 -44.28 6.46 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.325 1.536 . . . . 10.0 114.159 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 155.23 100.75 0.18 Allowed Glycine 0 C--O 1.21 -1.388 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.921 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.43 28.98 14.46 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 112.532 -1.834 . . . . 10.0 110.397 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.84 93.88 0.15 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 125.477 2.561 . . . . 10.0 108.885 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.496 HD12 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -66.23 161.85 21.26 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 111.45 -2.614 . . . . 10.0 110.56 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -152.1 143.33 23.27 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 109.69 -3.414 . . . . 10.0 111.989 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 159.9 41.96 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 127.225 2.828 . . . . 10.0 113.073 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.4 121.69 37.26 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 112.108 -2.315 . . . . 10.0 109.101 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.5 mtp -107.64 116.49 32.05 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 111.795 -2.457 . . . . 10.0 112.002 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -127.24 167.32 16.26 Favored 'General case' 0 CA--C 1.498 -1.025 0 O-C-N 125.979 2.05 . . . . 10.0 111.764 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 162.09 128.47 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 127.02 2.7 . . . . 10.0 109.327 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.5 22.26 5.23 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 126.863 2.602 . . . . 10.0 113.413 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.03 10.97 85.99 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 126.164 2.165 . . . . 10.0 113.968 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.1 t -113.35 135.11 53.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.105 0 CA-C-N 113.208 -1.496 . . . . 10.0 109.409 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.47 166.71 10.9 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 125.744 1.902 . . . . 10.0 114.841 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 7.8 t -164.06 131.16 3.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 111.45 -2.613 . . . . 10.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -125.27 146.14 49.68 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 125.687 1.867 . . . . 10.0 114.234 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 135.56 44.12 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 128.649 3.718 . . . . 10.0 113.907 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.0 t -99.8 154.42 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 126.378 2.299 . . . . 10.0 109.199 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.437 ' CE2' ' HE2' ' A' ' 40' ' ' LYS . 2.9 m-85 -133.55 167.56 20.24 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 127.935 3.272 . . . . 10.0 112.965 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.485 ' CB ' HD22 ' A' ' 11' ' ' LEU . 8.4 tptm -143.53 115.18 8.15 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 127.249 2.843 . . . . 10.0 110.947 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 154.58 35.32 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.351 -1.749 . . . . 10.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.419 HG22 ' CE ' ' A' ' 9' ' ' LYS . 57.4 t -136.03 -54.34 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 127.846 3.216 . . . . 10.0 110.136 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.247 0.962 0 CA-C-N 111.503 -2.59 . . . . 10.0 114.214 -179.747 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.483 H163 ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo . . . . . 0 N--CA 1.511 2.538 0 N-CA-C 108.853 -1.249 . . . . 10.0 108.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 t -73.37 97.76 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 CA-C-N 113.916 -1.493 . . . . 10.0 112.648 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -53.14 146.47 11.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 124.77 2.224 . . . . 10.0 112.11 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -136.11 76.99 1.63 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 111.19 -2.732 . . . . 10.0 108.492 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -149.3 107.6 3.77 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 110.641 -2.981 . . . . 10.0 110.359 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 164.54 -166.62 37.98 Favored Glycine 0 C--O 1.221 -0.678 0 C-N-CA 118.828 -1.653 . . . . 10.0 113.402 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 4.0 m-85 -116.23 102.49 9.62 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.672 2.042 . . . . 10.0 112.881 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CZ3' ' HG3' ' A' ' 132' ' ' LYS . 4.1 m95 -107.93 123.66 48.96 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.523 -1.217 . . . . 10.0 111.47 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -114.29 154.75 27.43 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 128.166 3.416 . . . . 10.0 109.48 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.6 ttm -78.84 152.64 31.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 111.422 -2.626 . . . . 10.0 114.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt -130.28 -48.55 1.09 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 113.954 -1.476 . . . . 10.0 113.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.8 m -148.5 166.47 28.11 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 125.459 1.724 . . . . 10.0 113.367 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -116.11 -165.9 1.09 Allowed 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 109.794 -3.366 . . . . 10.0 107.812 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -162.3 -54.84 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 128.511 3.632 . . . . 10.0 112.949 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -141.32 25.24 2.07 Favored 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.387 2.929 . . . . 10.0 109.861 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.485 ' CE2' HD13 ' A' ' 20' ' ' LEU . 73.6 t80 -71.87 -25.48 61.96 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 112.882 -1.963 . . . . 10.0 112.585 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.04 -34.09 61.82 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.322 1.534 . . . . 10.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.39 -30.18 61.85 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 112.566 -2.106 . . . . 10.0 112.875 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.512 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 2.1 t80 -70.14 -28.33 65.27 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 109.7 -3.409 . . . . 10.0 114.104 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD13 ' CE2' ' A' ' 16' ' ' PHE . 41.5 mt -66.2 -21.5 66.31 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 126.316 2.96 . . . . 10.0 114.059 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -71.32 -42.52 68.51 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.42 -2.173 . . . . 10.0 113.452 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -23.91 46.4 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-O 125.521 2.582 . . . . 10.0 115.415 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD12 ' CZ ' ' A' ' 19' ' ' TYR . 56.5 mt -101.76 -1.47 32.35 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.272 -2.24 . . . . 10.0 112.058 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.16 21.98 11.09 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.882 -1.963 . . . . 10.0 111.534 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 t -59.2 124.66 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 126.93 2.644 . . . . 10.0 107.503 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.86 140.94 0.1 Allowed 'General case' 0 C--O 1.221 -0.402 0 O-C-N 126.691 2.494 . . . . 10.0 112.261 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.23 -23.82 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.203 0 N-CA-C 115.134 1.531 . . . . 10.0 115.134 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.36 29.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 110.493 -3.049 . . . . 10.0 111.533 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -33.99 77.1 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 111.866 -2.425 . . . . 10.0 114.026 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -74.96 -27.41 60.16 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 112.603 -2.09 . . . . 10.0 109.635 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -37.87 67.53 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 126.103 2.858 . . . . 10.0 110.185 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -75.55 -29.12 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 111.37 -2.65 . . . . 10.0 109.931 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.2 -22.46 65.94 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 126.953 2.658 . . . . 10.0 113.956 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.13 -34.13 74.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 112.749 -2.023 . . . . 10.0 113.923 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.14 28.37 8.82 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 123.701 1.715 . . . . 10.0 111.231 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.6 109.5 15.76 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 109.855 -3.338 . . . . 10.0 109.843 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -140.39 85.35 13.47 Favored Pre-proline 0 CA--C 1.501 -0.923 0 CA-C-N 111.206 -2.725 . . . . 10.0 110.002 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -85.0 167.43 10.98 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 123.843 3.029 . . . . 10.0 109.064 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.85 143.27 45.39 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 110.094 -3.23 . . . . 10.0 108.78 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -101.92 145.31 29.42 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.513 1.149 . . . . 10.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -132.27 85.64 2.26 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 114.003 -1.453 . . . . 10.0 108.95 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.1 mt -82.83 137.28 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 CA-C-N 110.857 -2.883 . . . . 10.0 114.633 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -135.15 101.58 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 125.034 2.35 . . . . 10.0 109.684 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -92.87 136.64 33.07 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 112.009 -2.36 . . . . 10.0 110.133 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -144.35 46.76 1.4 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.636 -1.62 . . . . 10.0 114.053 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 131.31 -128.66 5.46 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-O 125.445 2.692 . . . . 10.0 112.239 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -19.07 54.39 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 112.881 -1.66 . . . . 10.0 111.248 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' CD2' ' CG ' ' A' ' 65' ' ' GLN . 17.6 m170 -101.63 165.7 11.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 128.322 3.514 . . . . 10.0 111.784 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 ttm -165.35 104.57 0.74 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 113.358 -1.746 . . . . 10.0 111.397 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.51 116.76 28.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 128.642 3.714 . . . . 10.0 110.574 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 64' ' ' PHE . 4.2 mt -106.91 137.07 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 127.903 3.252 . . . . 10.0 109.573 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 10.1 ptt180 -148.09 128.74 14.17 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 117.839 -1.544 . . . . 10.0 113.397 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.2 m -94.23 132.21 39.03 Favored 'General case' 0 CA--C 1.509 -0.628 1 O-C-N 129.294 4.121 . . . . 10.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.67 116.82 26.04 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 112.12 -2.309 . . . . 10.0 113.971 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.26 140.86 18.91 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.183 -1.826 . . . . 10.0 109.779 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -18.77 64.37 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.319 2.887 . . . . 10.0 109.254 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.477 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 9.1 t80 -78.83 -33.24 46.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.513 0.673 . . . . 10.0 110.003 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -179.95 134.99 0.11 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 112.089 -2.323 . . . . 10.0 112.649 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -102.8 106.23 16.79 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.832 -2.44 . . . . 10.0 108.548 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -109.76 99.6 8.73 Favored 'General case' 0 CA--C 1.498 -1.032 0 O-C-N 126.782 2.551 . . . . 10.0 114.191 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.435 ' CG1' ' HB2' ' A' ' 52' ' ' ARG . 2.9 mt -105.37 144.33 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.788 0 CA-C-N 111.473 -2.603 . . . . 10.0 110.97 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.8 mtm -151.1 166.84 29.56 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 125.739 2.685 . . . . 10.0 111.574 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.36 116.87 27.1 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.848 -2.887 . . . . 10.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.412 ' HB2' HD11 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -99.46 139.2 35.46 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 124.198 1.952 . . . . 10.0 110.56 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' CG ' ' CD2' ' A' ' 48' ' ' HIS . 1.7 mp0 -134.03 114.92 13.72 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 111.666 -2.515 . . . . 10.0 108.656 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 93' ' ' LEU . 58.7 t -79.67 123.8 37.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 CA-C-O 123.549 1.643 . . . . 10.0 110.507 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.45 12.13 65.41 Favored Glycine 0 C--O 1.21 -1.373 0 CA-C-N 112.389 -2.187 . . . . 10.0 110.309 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -120.98 145.76 47.4 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 123.622 1.677 . . . . 10.0 111.262 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.42 125.42 53.85 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.944 -1.48 . . . . 10.0 110.186 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.507 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 8.1 p90 -160.56 169.44 22.94 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.262 0.976 . . . . 10.0 111.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.35 143.14 55.26 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 112.34 -2.209 . . . . 10.0 111.411 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -123.1 78.8 1.6 Allowed 'General case' 0 C--O 1.213 -0.821 0 O-C-N 127.254 2.846 . . . . 10.0 109.563 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.18 96.65 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 109.854 -3.339 . . . . 10.0 109.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -101.0 47.33 0.92 Allowed 'General case' 0 C--O 1.207 -1.183 0 CA-C-O 124.472 2.082 . . . . 10.0 108.132 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 m -83.41 0.51 45.78 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.95 1.77 33.65 Favored Glycine 0 C--O 1.208 -1.477 0 CA-C-O 123.13 1.405 . . . . 10.0 110.182 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.96 -74.08 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 113.042 -1.579 . . . . 10.0 113.322 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -137.16 28.14 2.84 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 117.074 -1.441 . . . . 10.0 111.671 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.6 p-10 28.97 70.26 0.07 Allowed 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 128.71 3.756 . . . . 10.0 112.185 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -130.53 36.79 3.9 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.836 -1.075 . . . . 10.0 113.093 -179.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 115.93 0.16 Allowed 'General case' 0 C--O 1.213 -0.866 0 O-C-N 128.915 3.885 . . . . 10.0 112.433 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 80' ' ' ARG . 1.6 m -148.42 -172.99 4.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 127.152 2.782 . . . . 10.0 111.826 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.4 mtm -88.92 141.04 28.83 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.749 1.388 . . . . 10.0 114.749 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.3 m -141.18 127.24 19.48 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.319 -2.673 . . . . 10.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -122.61 139.7 53.63 Favored 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 127.004 2.69 . . . . 10.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 64' ' ' PHE . 87.4 t -111.89 146.07 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 113.793 -1.549 . . . . 10.0 112.434 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 t -123.4 160.82 25.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 112.842 -1.981 . . . . 10.0 109.791 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -120.61 77.18 1.25 Allowed 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 123.676 1.703 . . . . 10.0 109.201 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -33.78 76.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 112.471 -2.15 . . . . 10.0 114.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.89 126.73 2.64 Favored Glycine 0 C--O 1.213 -1.169 0 CA-C-N 111.608 -2.542 . . . . 10.0 110.308 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.22 -86.41 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 O-C-N 126.046 1.674 . . . . 10.0 107.668 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.49 129.03 40.0 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 125.901 2.001 . . . . 10.0 111.255 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.422 HD13 ' CG2' ' A' ' 66' ' ' VAL . 2.4 tp -95.64 105.46 17.45 Favored 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 124.248 0.968 . . . . 10.0 109.482 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.54 143.66 40.57 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 123.383 1.563 . . . . 10.0 109.293 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 140.08 48.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 111.004 -2.816 . . . . 10.0 110.503 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.76 146.25 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.064 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.83 157.86 36.5 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.208 -2.269 . . . . 10.0 108.747 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -111.63 -71.47 0.76 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 125.151 1.532 . . . . 10.0 109.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.31 -144.44 19.65 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 119.405 -1.379 . . . . 10.0 111.899 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.58 16.27 4.4 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 128.264 2.979 . . . . 10.0 111.2 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HB2' ' HG3' ' A' ' 104' ' ' ARG . 3.1 mmtp -108.99 161.3 15.29 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-N 114.865 -1.061 . . . . 10.0 113.121 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -84.36 84.11 7.75 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.774 2.546 . . . . 10.0 114.279 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.02 -109.16 0.72 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-N 112.563 -2.108 . . . . 10.0 112.802 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 4.5 mtp180 48.43 92.24 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.702 0 O-C-N 127.089 2.288 . . . . 10.0 112.496 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.2 90.43 0.09 OUTLIER Glycine 0 C--O 1.213 -1.183 0 O-C-N 127.245 2.841 . . . . 10.0 113.022 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.475 ' CZ3' H201 ' A' ' 135' ' ' RTL . 21.0 m0 -64.85 167.49 7.51 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 111.811 -2.194 . . . . 10.0 114.105 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 60.6 m -158.78 122.14 3.81 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 128.732 3.77 . . . . 10.0 108.39 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.55 141.09 47.58 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.209 2.193 . . . . 10.0 111.699 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -162.23 109.28 1.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 124.447 2.07 . . . . 10.0 110.353 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.93 138.1 22.74 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 112.643 -2.071 . . . . 10.0 111.838 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 63.24 1.34 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 125.528 1.767 . . . . 10.0 110.654 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.59 -132.28 11.2 Favored Glycine 0 C--O 1.219 -0.811 0 O-C-N 125.511 1.757 . . . . 10.0 111.75 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -78.54 -9.37 59.31 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 126.699 2.058 . . . . 10.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.28 132.13 55.86 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 125.122 1.514 . . . . 10.0 111.549 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.409 HD11 ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -89.37 149.55 22.95 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 113.872 -1.513 . . . . 10.0 111.019 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.51 137.49 30.26 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 127.207 2.817 . . . . 10.0 112.588 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -145.11 147.64 32.75 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 112.511 -2.131 . . . . 10.0 111.395 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -108.82 77.33 1.07 Allowed 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 125.137 2.399 . . . . 10.0 111.481 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 18.8 mtm -68.52 146.9 52.71 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 111.904 -2.407 . . . . 10.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -144.79 155.67 43.63 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 111.401 -2.636 . . . . 10.0 112.201 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -179.13 122.24 0.08 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 123.055 1.407 . . . . 10.0 114.495 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 59.34 25.64 14.35 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 113.002 -1.908 . . . . 10.0 112.19 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.96 80.8 Favored Glycine 0 N--CA 1.474 1.187 0 CA-C-N 114.732 -1.122 . . . . 10.0 113.658 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.4 t -95.43 126.91 47.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 CA-C-O 124.237 1.97 . . . . 10.0 109.691 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 36.9 m -110.21 144.2 39.23 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 124.961 2.315 . . . . 10.0 109.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 133.74 22.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 109.608 -3.451 . . . . 10.0 110.634 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -109.17 86.65 2.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 126.765 2.54 . . . . 10.0 113.768 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 145.45 55.73 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 128.199 3.437 . . . . 10.0 108.811 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.4 t -123.12 129.05 75.23 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.914 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.258 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -127.44 172.15 10.93 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 124.876 1.36 . . . . 10.0 109.284 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -149.08 130.25 14.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 124.725 2.202 . . . . 10.0 113.26 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.445 ' HG3' ' CZ3' ' A' ' 8' ' ' TRP . 55.6 tttt -68.63 116.0 8.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.314 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.38 -35.12 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-N 111.726 -2.488 . . . . 10.0 109.476 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 CA--C 1.513 -0.48 0 O-C-N 127.422 2.951 . . . . 10.0 113.625 179.716 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.541 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.511 2.505 0 CA-C-O 123.54 1.391 . . . . 10.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -80.18 -26.9 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 112.364 -2.198 . . . . 10.0 109.387 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 t70 58.19 99.67 0.02 OUTLIER 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 111.245 -2.707 . . . . 10.0 113.486 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -77.12 -22.28 52.92 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.263 1.982 . . . . 10.0 111.81 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.77 138.77 41.44 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 110.712 -2.949 . . . . 10.0 108.454 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.78 -176.96 18.96 Favored Glycine 0 C--O 1.217 -0.947 0 O-C-N 126.492 2.37 . . . . 10.0 108.942 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -113.55 126.21 55.05 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 119.018 -1.073 . . . . 10.0 113.195 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.549 ' CZ2' ' CG1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -105.46 140.46 38.53 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 127.118 2.761 . . . . 10.0 110.008 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -136.62 134.88 37.83 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 125.503 2.573 . . . . 10.0 109.286 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mmm -61.27 152.07 30.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 110.329 -3.123 . . . . 10.0 114.584 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 86.0 mt -120.72 -52.76 2.11 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 126.488 2.368 . . . . 10.0 108.957 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -165.93 161.88 17.84 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 128.687 3.742 . . . . 10.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.96 -178.71 3.73 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 112.531 -2.122 . . . . 10.0 107.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -146.23 -57.18 0.29 Allowed 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 113.875 -1.511 . . . . 10.0 110.445 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -130.69 32.17 4.42 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 126.472 2.358 . . . . 10.0 111.203 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 33' ' ' ALA . 15.3 t80 -72.91 -27.86 62.12 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-O 122.855 1.312 . . . . 10.0 109.389 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.13 -50.62 18.62 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 113.29 -1.777 . . . . 10.0 112.822 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.6 -25.25 62.96 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.668 -2.06 . . . . 10.0 112.16 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -67.64 -22.77 65.31 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 111.624 -2.535 . . . . 10.0 112.911 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.7 mt -77.99 -26.49 48.67 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 123.809 1.766 . . . . 10.0 109.757 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -70.63 -26.77 63.63 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.301 -1.772 . . . . 10.0 112.773 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.56 78.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 111.186 -2.733 . . . . 10.0 112.258 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.9 mt -92.19 8.7 36.86 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 112.944 -1.935 . . . . 10.0 112.689 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.15 34.91 18.75 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 112.709 -2.041 . . . . 10.0 113.068 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.427 HG12 HD22 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -76.5 138.88 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 CA-C-N 114.534 -1.212 . . . . 10.0 111.816 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -48.61 157.28 0.38 Allowed 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 111.919 -2.401 . . . . 10.0 111.564 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.8 m -73.4 -21.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 110.831 -2.895 . . . . 10.0 111.811 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.62 76.02 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.379 2.924 . . . . 10.0 113.417 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD22 HG12 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -73.84 -25.42 60.06 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.91 -2.859 . . . . 10.0 111.556 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -71.1 -32.2 68.73 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 124.816 1.322 . . . . 10.0 111.094 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -45.62 64.44 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 128.756 3.785 . . . . 10.0 112.768 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.49 -24.15 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 110.053 -3.249 . . . . 10.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . . . -65.77 -26.69 67.83 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 126.347 2.279 . . . . 10.0 114.17 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -74.62 -32.29 62.26 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 128.001 3.313 . . . . 10.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.35 12.0 28.52 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.101 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.56 109.26 19.99 Favored 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 117.701 -1.6 . . . . 10.0 113.199 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -138.85 82.4 20.64 Favored Pre-proline 0 C--O 1.211 -0.926 0 CA-C-N 113.279 -1.782 . . . . 10.0 111.262 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -85.35 174.53 6.93 Favored 'Trans proline' 0 CA--C 1.511 -0.641 0 O-C-N 126.875 3.04 . . . . 10.0 109.132 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.61 108.37 8.53 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 124.144 1.926 . . . . 10.0 110.235 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 1.1 mtpt -62.73 143.26 57.62 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.282 -2.236 . . . . 10.0 113.79 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -130.32 111.94 12.84 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 113.044 -1.889 . . . . 10.0 108.564 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.549 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 2.9 mm -91.36 142.55 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 112.466 -2.152 . . . . 10.0 112.935 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.37 63.04 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.175 -1.375 . . . . 10.0 109.418 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -66.7 146.95 53.9 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 126.706 2.504 . . . . 10.0 114.254 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 3.3 m-20 -144.25 81.83 1.68 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 110.199 -3.182 . . . . 10.0 110.347 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.12 -115.81 8.17 Favored Glycine 0 N--CA 1.472 1.092 0 O-C-N 128.483 3.614 . . . . 10.0 113.432 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -64.9 -49.22 71.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 111.252 -2.474 . . . . 10.0 112.219 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -84.03 131.0 34.86 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 127.817 3.198 . . . . 10.0 110.295 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.85 115.11 16.76 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 126.912 2.632 . . . . 10.0 111.804 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.11 139.19 19.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mp -117.89 124.97 73.83 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 O-C-N 125.0 1.438 . . . . 10.0 110.237 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -112.85 119.16 37.05 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -105.17 104.81 14.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 107.869 -1.159 . . . . 10.0 107.869 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -103.36 99.15 8.98 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 115.335 1.605 . . . . 10.0 115.335 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.4 p -132.25 165.4 24.23 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 127.838 3.212 . . . . 10.0 107.652 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -94.69 3.62 54.83 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.141 -1.39 . . . . 10.0 112.168 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.71 -45.38 5.78 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 109.963 -3.289 . . . . 10.0 112.763 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -168.51 105.07 0.44 Allowed 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 127.202 2.814 . . . . 10.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -72.39 126.68 30.43 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.485 2.991 . . . . 10.0 109.131 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.87 141.47 51.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 113.38 -1.736 . . . . 10.0 109.883 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mp -130.21 124.66 58.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 126.358 2.98 . . . . 10.0 108.968 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 37.9 mtt -124.91 149.97 47.03 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 112.522 -2.126 . . . . 10.0 110.589 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -122.45 82.29 1.95 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 124.631 2.158 . . . . 10.0 108.365 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.493 ' CD2' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -80.55 118.76 22.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 111.833 -2.439 . . . . 10.0 114.34 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -103.36 135.85 44.21 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 112.608 -2.087 . . . . 10.0 108.658 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.74 117.04 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.027 0 CA-C-N 112.95 -1.932 . . . . 10.0 113.617 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.58 -21.74 44.49 Favored Glycine 0 C--O 1.211 -1.303 0 CA-C-N 113.311 -1.768 . . . . 10.0 111.969 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 141.73 46.57 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 113.612 -1.294 . . . . 10.0 112.856 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 144.1 48.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 111.257 -2.701 . . . . 10.0 112.482 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -155.01 159.25 40.19 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 125.928 2.775 . . . . 10.0 109.082 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 148.75 33.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.196 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -132.49 110.09 10.26 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 110.603 -2.999 . . . . 10.0 108.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -100.31 112.05 24.36 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 126.58 2.425 . . . . 10.0 109.811 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.13 48.37 0.84 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 109.04 -3.709 . . . . 10.0 108.072 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.24 18.77 13.02 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 124.444 2.068 . . . . 10.0 114.476 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.83 24.99 2.27 Favored Glycine 0 C--O 1.217 -0.932 0 CA-C-N 111.726 -2.488 . . . . 10.0 108.922 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.8 -63.43 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 CA-C-O 125.003 2.335 . . . . 10.0 109.473 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -153.89 22.99 0.51 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 109.655 -3.429 . . . . 10.0 114.563 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 39.88 90.7 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 123.878 1.799 . . . . 10.0 114.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.75 -61.69 0.99 Allowed 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt 67.19 103.96 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 124.589 2.138 . . . . 10.0 112.963 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.57 -173.13 3.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.511 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.6 mtp -113.31 149.32 34.11 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.186 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.4 m -146.34 143.0 28.81 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 127.229 2.831 . . . . 10.0 114.139 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.05 142.97 51.16 Favored 'General case' 0 C--O 1.217 -0.629 1 O-C-N 129.199 4.062 . . . . 10.0 108.544 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' A' ' 64' ' ' PHE . 85.6 t -127.76 135.49 62.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 O-C-N 126.03 2.081 . . . . 10.0 112.299 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 t -137.51 127.87 26.42 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 110.753 -2.931 . . . . 10.0 107.989 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -87.52 18.77 3.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 116.994 -1.479 . . . . 10.0 114.689 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 t70 30.97 44.12 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.764 3.165 . . . . 10.0 114.047 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 40.18 31.69 0.35 Allowed Glycine 0 C--N 1.347 1.184 0 CA-C-N 112.155 -2.293 . . . . 10.0 114.027 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t0 153.38 121.78 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.632 0 O-C-N 128.333 3.02 . . . . 10.0 108.265 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.03 115.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 126.1 2.125 . . . . 10.0 107.88 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -65.76 120.91 13.85 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.367 -1.742 . . . . 10.0 111.123 179.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.31 108.88 13.24 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 125.336 2.493 . . . . 10.0 113.216 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.8 t -102.47 127.86 49.33 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.906 -1.952 . . . . 10.0 113.63 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.55 147.07 33.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 127.092 2.745 . . . . 10.0 109.141 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -116.74 151.01 37.3 Favored 'General case' 0 CA--C 1.495 -1.138 1 O-C-N 129.589 4.305 . . . . 10.0 109.199 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -92.83 -10.16 37.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.205 -1.362 . . . . 10.0 112.816 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' LYS . . . -42.76 110.92 0.3 Allowed Glycine 0 C--O 1.209 -1.44 0 O-C-N 126.992 2.682 . . . . 10.0 109.513 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -56.2 85.28 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 124.95 2.31 . . . . 10.0 113.204 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -156.38 -164.52 1.69 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.636 -2.529 . . . . 10.0 107.91 -179.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -125.86 91.06 3.31 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.693 2.496 . . . . 10.0 110.646 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.06 -45.41 1.0 Allowed Glycine 0 N--CA 1.462 0.429 0 C-N-CA 119.412 -1.375 . . . . 10.0 114.079 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -31.2 94.19 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 127.699 3.619 . . . . 10.0 115.439 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.5 149.38 5.93 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 110.31 -3.132 . . . . 10.0 112.578 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.49 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 2.7 m0 -126.21 145.71 50.27 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 123.903 1.811 . . . . 10.0 114.036 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.1 m -126.6 134.2 50.86 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 111.733 -2.485 . . . . 10.0 109.578 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.23 132.83 41.93 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 125.336 1.648 . . . . 10.0 115.357 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.41 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 2.0 p90 -138.5 142.59 39.35 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 128.205 3.441 . . . . 10.0 107.887 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.8 mt -113.71 151.5 15.54 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-O 125.564 2.602 . . . . 10.0 114.047 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -136.86 -179.18 5.54 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 108.928 -3.76 . . . . 10.0 108.76 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.67 84.11 0.01 OUTLIER Glycine 0 C--O 1.213 -1.175 0 O-C-N 128.246 3.466 . . . . 10.0 113.521 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.19 74.02 0.45 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 126.417 1.892 . . . . 10.0 109.572 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 173.18 136.64 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 110.717 -2.947 . . . . 10.0 108.406 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 8' ' ' TRP . 1.7 tt -117.03 100.69 7.92 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 111.48 -2.6 . . . . 10.0 108.282 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 143.81 32.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 113.241 -1.799 . . . . 10.0 109.028 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 119' ' ' MET . 4.5 pp -150.38 173.27 14.2 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 114.812 -1.085 . . . . 10.0 109.206 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -135.7 92.58 2.84 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 128.159 3.412 . . . . 10.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.49 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 32.4 mtt -83.32 140.95 32.15 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 113.939 -1.482 . . . . 10.0 108.442 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -141.77 139.49 32.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 129.006 3.941 . . . . 10.0 110.784 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -171.39 117.37 0.43 Allowed 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.07 -1.877 . . . . 10.0 111.993 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 70.37 23.61 4.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.891 -1.049 . . . . 10.0 113.603 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.8 11.1 55.76 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 113.297 -1.774 . . . . 10.0 114.586 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 125' ' ' THR . 47.0 t -96.25 162.06 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.129 0 C-N-CA 118.292 -1.363 . . . . 10.0 109.855 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.432 ' N ' ' CG1' ' A' ' 124' ' ' VAL . 1.7 m -141.27 86.74 2.04 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 112.812 -1.994 . . . . 10.0 107.865 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 13.4 t -101.45 104.74 15.69 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 125.901 2.001 . . . . 10.0 113.137 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -104.37 86.07 2.46 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.807 2.567 . . . . 10.0 111.959 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.84 137.71 40.65 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 125.115 2.388 . . . . 10.0 114.047 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 22.5 t -91.76 92.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 109.849 -3.341 . . . . 10.0 115.186 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.481 ' CZ ' ' HD3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.85 143.79 26.77 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 128.36 3.538 . . . . 10.0 109.821 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 11.2 tptm -125.18 124.05 40.93 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 124.312 2.006 . . . . 10.0 112.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -68.22 109.8 3.74 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 111.522 -2.581 . . . . 10.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.2 -55.12 18.18 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 CA-C-N 112.613 -2.085 . . . . 10.0 107.881 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.259 1.578 0 O-C-N 128.575 3.672 . . . . 10.0 113.026 179.674 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.563 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo . . . . . 0 N--CA 1.502 1.976 0 N-CA-C 108.669 -1.319 . . . . 10.0 108.669 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -46.56 143.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 125.312 2.482 . . . . 10.0 111.229 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -136.61 112.09 9.28 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 109.65 -3.432 . . . . 10.0 111.212 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 93' ' ' LEU . 1.1 m-85 -65.36 -33.54 76.2 Favored 'General case' 0 CA--C 1.499 -0.993 0 O-C-N 127.116 2.76 . . . . 10.0 112.839 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.36 104.71 1.0 Allowed 'General case' 0 C--O 1.209 -1.072 0 CA-C-N 112.775 -2.012 . . . . 10.0 111.38 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.7 179.1 48.76 Favored Glycine 0 C--N 1.348 1.226 0 C-N-CA 117.15 -2.452 . . . . 10.0 114.41 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -104.57 104.04 13.8 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 125.373 1.278 . . . . 10.0 109.768 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.487 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 11.2 m95 -107.64 108.3 19.49 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 118.681 -1.208 . . . . 10.0 109.46 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -98.04 144.15 27.84 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 126.939 2.649 . . . . 10.0 109.709 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.69 163.56 0.3 Allowed 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 126.206 2.908 . . . . 10.0 112.292 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.35 -58.11 0.64 Allowed 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 110.503 -3.044 . . . . 10.0 108.415 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -152.0 -176.93 5.86 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 110.079 -3.237 . . . . 10.0 108.428 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 1.8 p-10 -175.44 93.35 0.06 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.227 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -83.51 149.35 26.67 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 111.887 -2.415 . . . . 10.0 111.844 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 53.0 20.34 1.65 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 111.859 -2.428 . . . . 10.0 114.204 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -74.33 -23.01 58.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.162 1.458 . . . . 10.0 112.553 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 46.0 mt-10 -75.12 -38.73 60.99 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 114.147 -1.388 . . . . 10.0 111.418 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.31 -24.77 62.2 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 113.047 -1.888 . . . . 10.0 113.697 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.67 -31.32 66.67 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 124.453 2.073 . . . . 10.0 111.57 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.44 HD21 ' C18' ' A' ' 135' ' ' RTL . 18.5 mt -71.66 -32.74 68.23 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.588 -2.096 . . . . 10.0 113.034 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -77.25 -24.17 51.19 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 110.698 -2.955 . . . . 10.0 112.711 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.34 66.66 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.927 -1.942 . . . . 10.0 112.781 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mt -106.94 15.67 25.12 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 112.091 -2.322 . . . . 10.0 111.224 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 42.3 40.34 1.76 Allowed 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 124.893 2.282 . . . . 10.0 113.666 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 26' ' ' ASN . 6.2 t -57.72 -74.74 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-N 111.11 -2.768 . . . . 10.0 112.857 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.41 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER 172.16 150.52 0.06 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.153 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -68.92 -31.15 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 114.412 1.264 . . . . 10.0 114.412 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.63 -43.26 76.73 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 111.255 -2.702 . . . . 10.0 115.03 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -27.26 64.64 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 125.851 2.739 . . . . 10.0 111.826 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HD3' ' HB3' ' A' ' 17' ' ' GLU . 3.1 tmm_? -72.72 -30.91 64.59 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 111.468 -2.606 . . . . 10.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -79.89 -29.16 39.87 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.44 3.588 . . . . 10.0 109.531 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.452 HG21 ' CE2' ' A' ' 57' ' ' PHE . 5.9 mt -79.72 -28.88 12.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 127.087 2.742 . . . . 10.0 111.456 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 20' ' ' LEU . . . -75.62 -20.96 58.17 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.376 2.036 . . . . 10.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.59 -33.85 69.38 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 111.22 -2.718 . . . . 10.0 113.711 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.41 2.16 48.67 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 110.843 -2.889 . . . . 10.0 113.92 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.79 143.51 50.93 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 112.946 -1.933 . . . . 10.0 113.574 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -151.52 80.07 6.42 Favored Pre-proline 0 CA--C 1.495 -1.16 0 O-C-N 126.641 2.463 . . . . 10.0 112.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -44.04 148.07 1.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 O-C-N 124.89 1.995 . . . . 10.0 114.463 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -108.99 112.08 24.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.839 -2.437 . . . . 10.0 107.589 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.16 143.66 41.03 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 127.552 3.032 . . . . 10.0 114.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.69 84.67 2.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 124.922 2.296 . . . . 10.0 112.232 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.44 143.52 12.75 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 110.573 -3.012 . . . . 10.0 109.303 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.21 111.4 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-N 109.792 -3.367 . . . . 10.0 113.055 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.7 130.41 34.7 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 123.515 1.626 . . . . 10.0 111.42 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -147.36 67.12 1.13 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 113.012 -1.904 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.44 -116.04 4.13 Favored Glycine 0 C--O 1.209 -1.429 0 CA-C-N 111.781 -2.463 . . . . 10.0 114.332 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.6 29.16 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.604 -2.298 . . . . 10.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -74.39 165.02 25.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.326 1.536 . . . . 10.0 109.437 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 ttp -155.41 84.12 1.05 Allowed 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 111.23 -2.714 . . . . 10.0 109.118 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 51' ' ' ILE . 69.7 mt -75.22 133.03 32.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.274 -0.875 . . . . 10.0 112.816 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.415 ' N ' HG23 ' A' ' 50' ' ' ILE . 12.1 mt -114.27 133.95 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 O-C-N 128.735 3.772 . . . . 10.0 110.648 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -117.51 138.61 51.77 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 127.512 3.007 . . . . 10.0 109.424 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -135.69 98.97 4.06 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 109.771 -3.377 . . . . 10.0 108.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.12 108.4 20.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 108.925 -3.761 . . . . 10.0 115.444 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -147.04 107.69 4.12 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 112.822 -1.99 . . . . 10.0 108.794 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -33.24 -35.91 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 O-C-N 127.978 3.298 . . . . 10.0 114.177 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -66.8 -55.32 15.42 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 112.797 -2.001 . . . . 10.0 113.263 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -157.64 112.53 2.7 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.834 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 171.32 14.33 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 111.867 -2.424 . . . . 10.0 108.882 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -163.27 89.97 0.64 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 112.165 -2.289 . . . . 10.0 113.324 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.9 mp -109.82 128.82 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 123.943 1.83 . . . . 10.0 113.946 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 mmt -149.86 169.43 21.14 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 111.885 -2.416 . . . . 10.0 109.572 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -115.44 135.17 54.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 110.082 -3.235 . . . . 10.0 108.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.12 113.48 17.78 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 114.387 -1.279 . . . . 10.0 114.051 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -83.27 98.26 9.32 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 127.106 2.754 . . . . 10.0 108.239 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.26 110.69 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.403 -1.726 . . . . 10.0 113.871 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.67 -4.99 21.01 Favored Glycine 0 C--O 1.208 -1.518 0 O-C-N 127.31 2.881 . . . . 10.0 114.442 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.34 166.96 11.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 113.561 -1.32 . . . . 10.0 113.174 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.11 156.17 19.82 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 110.582 -3.008 . . . . 10.0 112.295 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -133.76 -178.95 5.25 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 112.697 -2.047 . . . . 10.0 114.048 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -140.88 61.86 1.49 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 126.626 2.454 . . . . 10.0 109.144 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.98 144.47 14.89 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 110.643 -2.98 . . . . 10.0 113.484 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.9 115.75 12.23 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 111.316 -2.675 . . . . 10.0 109.729 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 79' ' ' ASP . 5.1 mp -120.61 52.02 1.19 Allowed 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 111.581 -2.554 . . . . 10.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -77.75 -4.36 45.94 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 122.871 1.32 . . . . 10.0 113.514 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -103.03 -5.39 47.08 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-N 113.563 -1.653 . . . . 10.0 111.552 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.31 -74.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 CA-C-N 112.956 -1.622 . . . . 10.0 110.299 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -143.77 20.49 1.82 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.252 -0.885 . . . . 10.0 113.015 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 54.5 t0 36.31 76.9 0.05 OUTLIER 'General case' 0 C--O 1.209 -1.078 0 O-C-N 127.053 2.721 . . . . 10.0 113.364 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -82.31 -67.26 0.8 Allowed 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 110.416 -3.083 . . . . 10.0 113.109 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt 71.69 85.22 0.13 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 128.558 3.661 . . . . 10.0 111.561 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 93.3 m -131.46 178.44 6.73 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.195 -1.366 . . . . 10.0 112.8 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' LYS . 1.8 mtm -105.88 133.94 49.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.558 -2.11 . . . . 10.0 108.926 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 m -115.91 143.38 45.51 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 124.321 2.01 . . . . 10.0 114.049 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.9 m -150.49 115.8 5.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 112.534 -2.121 . . . . 10.0 107.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 87' ' ' SER . 38.4 t -108.17 145.16 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 O-C-N 127.312 2.883 . . . . 10.0 109.195 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.428 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.4 m -158.83 154.85 26.78 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.262 -2.699 . . . . 10.0 111.127 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -99.61 151.21 21.45 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 112.431 -2.168 . . . . 10.0 111.64 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -101.33 -59.62 1.67 Allowed 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 112.311 -2.222 . . . . 10.0 111.768 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.89 110.26 0.27 Allowed Glycine 0 C--N 1.345 1.029 0 O-C-N 126.799 2.562 . . . . 10.0 111.559 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.96 18.22 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 128.003 2.825 . . . . 10.0 113.367 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 143.04 1.18 Allowed 'General case' 0 C--O 1.209 -1.054 0 CA-C-N 111.183 -2.735 . . . . 10.0 113.13 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 4' ' ' PHE . 25.9 tp -100.62 120.46 40.09 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 127.09 2.744 . . . . 10.0 111.677 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -109.66 152.06 26.07 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.699 2.499 . . . . 10.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.5 m -138.98 148.2 43.17 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 114.132 -1.394 . . . . 10.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.42 121.09 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 110.33 -3.123 . . . . 10.0 112.288 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -104.75 79.86 1.58 Allowed 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 127.639 3.087 . . . . 10.0 113.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' MET . 1.5 tttt -41.51 94.79 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 125.543 2.592 . . . . 10.0 113.845 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.63 -152.65 8.5 Favored Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 109.522 -3.49 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.47 46.11 1.61 Allowed 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 126.912 2.184 . . . . 10.0 111.54 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -124.71 -89.34 0.58 Allowed 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 111.525 -2.58 . . . . 10.0 114.59 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER 171.53 136.26 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.24 0.34 Allowed Glycine 0 C--O 1.212 -1.256 0 O-C-N 128.25 3.469 . . . . 10.0 110.683 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.85 62.11 6.77 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 125.062 2.363 . . . . 10.0 112.991 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.52 158.56 27.73 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 113.558 -1.656 . . . . 10.0 109.688 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.494 ' CH2' H202 ' A' ' 135' ' ' RTL . 3.1 m0 -108.6 153.67 23.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 123.523 1.63 . . . . 10.0 115.034 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -135.3 116.47 14.4 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 111.874 -2.421 . . . . 10.0 107.786 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -114.99 160.79 19.16 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 123.946 1.831 . . . . 10.0 114.883 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -157.54 94.74 1.39 Allowed 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 110.023 -3.262 . . . . 10.0 108.918 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 111' ' ' GLU . 3.0 mt -72.45 147.43 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-N 110.474 -3.057 . . . . 10.0 109.838 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.411 ' N ' HG21 ' A' ' 110' ' ' ILE . 4.1 mt-10 -120.9 -176.9 3.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 109.866 -3.333 . . . . 10.0 109.686 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.05 -60.62 4.93 Favored Glycine 0 C--O 1.221 -0.662 0 O-C-N 127.045 2.716 . . . . 10.0 112.217 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -138.99 61.07 1.58 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 177.12 146.04 0.1 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.036 -0.983 . . . . 10.0 109.748 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -105.65 110.38 22.67 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.859 1.349 . . . . 10.0 110.218 -179.848 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -99.08 103.39 15.3 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 125.641 2.638 . . . . 10.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 118' ' ' GLU . 1.7 tp -116.98 128.19 54.94 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 111.059 -2.791 . . . . 10.0 109.617 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.412 ' N ' HD13 ' A' ' 117' ' ' LEU . 1.6 mt-10 -118.91 73.18 0.91 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 124.482 2.087 . . . . 10.0 110.262 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.426 ' HG3' ' N ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -58.43 158.15 7.86 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 109.606 -3.452 . . . . 10.0 112.33 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 119' ' ' MET . 4.2 mtm180 -144.75 146.42 32.15 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.448 -1.251 . . . . 10.0 108.586 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.78 118.44 2.43 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 123.893 1.806 . . . . 10.0 113.165 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.04 19.93 1.14 Allowed 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 114.372 1.249 . . . . 10.0 114.372 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.82 -14.64 24.23 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 118.982 -0.899 . . . . 10.0 113.59 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.95 146.71 5.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 125.984 1.637 . . . . 10.0 109.076 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 45.1 m -116.91 118.82 33.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.343 1.544 . . . . 10.0 112.97 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.3 132.52 47.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 112.936 -1.938 . . . . 10.0 112.052 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 88.63 2.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 126.241 2.213 . . . . 10.0 113.784 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -78.75 115.82 18.7 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 109.509 -3.496 . . . . 10.0 108.269 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.42 156.14 5.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 112.287 -2.233 . . . . 10.0 113.705 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -144.54 156.66 44.26 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 109.688 -3.415 . . . . 10.0 108.864 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 132' ' ' LYS . 10.3 tptp -126.73 109.5 12.12 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 127.161 2.788 . . . . 10.0 113.021 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 6.6 tttt -55.1 104.62 0.13 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 111.942 -2.39 . . . . 10.0 111.429 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.52 -53.48 39.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 O-C-N 126.64 2.462 . . . . 10.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.985 1 O-C-N 130.763 5.039 . . . . 10.0 108.989 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.568 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo . . . . . 0 N--CA 1.506 2.249 0 N-CA-C 108.547 -1.367 . . . . 10.0 108.547 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.423 HG23 ' CE1' ' A' ' 4' ' ' PHE . 29.7 m -70.58 -20.47 22.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 109.845 -3.343 . . . . 10.0 112.601 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.02 95.41 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 O-C-N 128.204 3.44 . . . . 10.0 113.22 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.423 ' CE1' HG23 ' A' ' 2' ' ' VAL . 65.0 m-85 -78.68 -28.96 45.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 113.2 -1.818 . . . . 10.0 112.358 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -59.88 141.67 54.99 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 111.968 -2.378 . . . . 10.0 111.919 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.18 -145.65 15.43 Favored Glycine 0 C--O 1.209 -1.443 0 CA-C-N 112.563 -2.108 . . . . 10.0 108.933 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.24 140.39 52.57 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 124.722 2.201 . . . . 10.0 109.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.416 ' CE3' ' HB2' ' A' ' 132' ' ' LYS . 4.1 m95 -142.34 107.44 4.95 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.738 -2.028 . . . . 10.0 114.177 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -100.4 153.25 19.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 112.811 -1.995 . . . . 10.0 107.676 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.46 ' HG3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.94 159.76 0.38 Allowed 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.287 1.617 . . . . 10.0 111.508 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.19 -54.12 0.63 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 109.72 -3.4 . . . . 10.0 112.221 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -178.05 157.98 1.18 Allowed 'General case' 0 C--O 1.221 -0.44 0 O-C-N 128.168 3.417 . . . . 10.0 108.859 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.13 -177.42 4.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 126.443 2.339 . . . . 10.0 108.473 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -170.87 123.64 0.62 Allowed 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 126.403 2.314 . . . . 10.0 108.782 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.07 30.14 3.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 123.074 1.416 . . . . 10.0 108.816 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -71.95 -45.69 60.19 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 114.26 -1.336 . . . . 10.0 113.493 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.72 -25.16 61.12 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.138 -0.937 . . . . 10.0 112.781 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.04 -37.06 64.43 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.609 -2.541 . . . . 10.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CE2' ' HE1' ' A' ' 119' ' ' MET . 3.4 t80 -73.92 -27.19 60.91 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 110.714 -2.948 . . . . 10.0 111.112 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -77.3 -29.26 53.62 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 110.834 -2.894 . . . . 10.0 108.904 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -78.61 -22.75 46.54 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 112.836 -1.984 . . . . 10.0 108.91 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.9 -27.76 67.76 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.175 -1.829 . . . . 10.0 114.467 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.74 8.95 43.87 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.06 -0.973 . . . . 10.0 111.924 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.45 49.78 6.2 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 127.12 2.762 . . . . 10.0 108.538 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.69 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 111.251 -2.704 . . . . 10.0 113.45 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 172.83 155.9 0.1 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 114.817 -1.083 . . . . 10.0 109.023 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -76.25 -30.22 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 122.894 1.33 . . . . 10.0 110.43 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.72 71.02 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 111.88 -2.418 . . . . 10.0 114.406 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -21.89 49.33 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 117.398 -1.721 . . . . 10.0 113.728 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -72.47 -29.5 63.72 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 111.144 -2.753 . . . . 10.0 109.954 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -77.61 -42.64 34.29 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 112.572 -2.104 . . . . 10.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CG2' ' CE2' ' A' ' 57' ' ' PHE . 9.2 mt -74.84 -30.84 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-N 113.021 -1.9 . . . . 10.0 112.501 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.57 -20.53 64.79 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.385 -2.189 . . . . 10.0 113.679 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -24.99 60.03 Favored 'General case' 0 C--O 1.21 -0.987 0 CA-C-N 111.381 -2.645 . . . . 10.0 112.475 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 mt -100.66 7.77 43.74 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 128.483 3.614 . . . . 10.0 109.618 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 55' ' ' SER . 0.6 OUTLIER -105.22 116.49 32.03 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 114.625 -1.17 . . . . 10.0 111.009 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HB3' ' HG3' ' A' ' 10' ' ' MET . 12.2 mttp -145.92 62.7 8.56 Favored Pre-proline 0 CA--C 1.511 -0.541 0 O-C-N 127.38 2.925 . . . . 10.0 108.486 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 9.4 Cg_endo -61.05 175.18 1.45 Allowed 'Trans proline' 0 CA--C 1.493 -1.527 0 O-C-N 126.495 2.84 . . . . 10.0 114.905 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.75 165.53 14.42 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-N 111.344 -2.662 . . . . 10.0 109.238 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -136.86 149.85 47.93 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 114.765 -1.107 . . . . 10.0 112.169 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.12 91.98 2.61 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 111.57 -2.559 . . . . 10.0 112.32 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.73 145.47 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.992 0 CA-C-O 124.566 2.127 . . . . 10.0 108.88 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.1 97.48 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 CA-C-O 125.285 2.469 . . . . 10.0 110.081 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -76.52 120.76 22.18 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.497 -2.138 . . . . 10.0 111.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.66 86.2 1.73 Allowed 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 111.534 -2.575 . . . . 10.0 114.006 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.24 -129.91 9.73 Favored Glycine 0 C--N 1.335 0.498 0 CA-C-N 110.493 -3.048 . . . . 10.0 111.031 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.58 -17.93 55.38 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 113.143 -1.528 . . . . 10.0 111.602 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -86.36 161.96 18.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.701 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.401 ' HE2' ' HB2' ' A' ' 4' ' ' PHE . 34.4 ttm -168.46 77.29 0.13 Allowed 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 124.016 1.865 . . . . 10.0 111.074 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -69.48 136.12 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-N 113.593 -1.64 . . . . 10.0 113.238 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.61 123.64 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-N 111.68 -2.509 . . . . 10.0 109.458 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -111.66 113.05 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 113.416 -1.72 . . . . 10.0 112.64 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.9 m -102.69 118.64 37.29 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 122.721 1.248 . . . . 10.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.5 mt -118.57 98.5 6.27 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 113.55 -1.659 . . . . 10.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 49.5 p -112.72 -1.45 14.74 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 115.496 1.665 . . . . 10.0 115.496 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m 54.21 29.6 10.87 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.836 1.779 . . . . 10.0 109.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CE2' ' CG2' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -140.06 -60.4 0.53 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.653 1.692 . . . . 10.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -147.18 106.06 3.84 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 125.553 2.597 . . . . 10.0 111.986 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -77.75 107.9 10.58 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 112.039 -2.346 . . . . 10.0 113.744 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 124.85 40.91 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 112.657 -2.065 . . . . 10.0 109.098 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mm -120.8 112.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 CA-C-N 111.608 -2.542 . . . . 10.0 113.281 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.6 mtp -123.48 101.75 7.51 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 125.435 2.54 . . . . 10.0 110.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -39.43 94.24 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.602 -2.09 . . . . 10.0 109.74 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 62.57 167.58 0.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 O-C-N 127.106 2.754 . . . . 10.0 110.195 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 6.2 mt-30 -165.79 85.39 0.35 Allowed 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.769 1.293 . . . . 10.0 109.696 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.5 t -45.66 130.26 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 113.697 -1.592 . . . . 10.0 114.482 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 3.51 86.19 Favored Glycine 0 N--CA 1.473 1.106 0 O-C-N 126.225 2.203 . . . . 10.0 113.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 158.5 31.67 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.559 -0.321 . . . . 10.0 110.402 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -108.44 135.97 48.84 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 129.311 4.132 . . . . 10.0 114.435 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.52 145.33 18.85 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-O 126.577 3.085 . . . . 10.0 113.132 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -75.73 123.58 25.82 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 109.865 -3.334 . . . . 10.0 112.581 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -106.48 132.78 52.09 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 127.091 2.744 . . . . 10.0 110.938 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -108.43 115.6 30.41 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.088 -1.869 . . . . 10.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.76 58.46 1.65 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.949 1.833 . . . . 10.0 111.637 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.39 108.96 20.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 111.451 -2.613 . . . . 10.0 112.172 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.87 -18.86 5.89 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-N 111.643 -2.526 . . . . 10.0 108.414 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.18 -79.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 110.766 -2.717 . . . . 10.0 108.816 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.98 -10.43 14.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 126.895 2.622 . . . . 10.0 114.296 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.03 72.18 0.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 126.18 2.175 . . . . 10.0 112.949 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.07 139.88 0.29 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 110.779 -2.919 . . . . 10.0 111.464 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.8 174.56 5.83 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 126.752 2.532 . . . . 10.0 109.874 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.5 177.39 2.17 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 111.9 -2.409 . . . . 10.0 109.715 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.4 mtt -104.7 126.08 51.43 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 124.736 2.208 . . . . 10.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.0 m -120.88 142.29 49.81 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 110.513 -3.04 . . . . 10.0 112.731 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -135.67 145.12 46.43 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 127.712 3.132 . . . . 10.0 108.556 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.98 138.22 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 127.988 3.305 . . . . 10.0 108.398 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -129.53 176.67 7.79 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 127.359 2.912 . . . . 10.0 111.623 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.55 91.67 3.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.032 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -98.47 50.8 0.99 Allowed 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 126.946 2.654 . . . . 10.0 114.641 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.36 -131.22 7.58 Favored Glycine 0 C--O 1.221 -0.682 0 CA-C-N 113.13 -1.85 . . . . 10.0 113.042 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.34 -19.98 20.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 127.273 2.396 . . . . 10.0 109.065 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -91.32 177.73 6.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 128.23 3.456 . . . . 10.0 112.915 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.88 96.4 5.05 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 110.967 -2.833 . . . . 10.0 110.238 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -92.15 116.41 28.91 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 109.682 -3.417 . . . . 10.0 114.478 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 m -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.643 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.8 m -112.84 135.6 51.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 O-C-N 125.293 1.621 . . . . 10.0 114.808 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' HB3' ' HG2' ' A' ' 104' ' ' ARG . 33.9 mt-30 -117.18 93.55 4.22 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 127.221 2.825 . . . . 10.0 108.275 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -39.25 -50.5 1.97 Allowed 'General case' 0 C--O 1.217 -0.642 0 O-C-N 128.794 3.809 . . . . 10.0 112.379 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 31.26 -127.34 0.2 Allowed Glycine 0 C--O 1.217 -0.921 1 O-C-N 129.552 4.283 . . . . 10.0 112.086 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -168.64 36.91 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.445 -2.878 . . . . 10.0 110.132 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.424 ' HG3' ' NH1' ' A' ' 104' ' ' ARG . 17.6 mmtt -125.33 173.67 8.67 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 84.74 2.51 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 114.153 -1.385 . . . . 10.0 114.675 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.1 -94.43 0.65 Allowed Glycine 0 C--O 1.213 -1.197 0 N-CA-C 108.262 -1.935 . . . . 10.0 108.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 101' ' ' LYS . 3.7 ttm180 48.57 86.27 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 109.906 -3.147 . . . . 10.0 114.734 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.89 134.2 2.17 Favored Glycine 0 C--O 1.213 -1.168 0 CA-C-N 113.438 -1.71 . . . . 10.0 112.742 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -102.3 147.07 27.13 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -140.93 123.91 16.35 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 126.567 2.417 . . . . 10.0 109.576 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.72 146.85 38.02 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.253 2.221 . . . . 10.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.486 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -159.71 149.24 18.19 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.997 -2.82 . . . . 10.0 113.522 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 26.2 mt -106.38 149.1 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.176 0 CA-C-N 111.702 -2.499 . . . . 10.0 110.301 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -110.07 -97.72 0.4 Allowed 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 112.302 -2.226 . . . . 10.0 113.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.42 -82.62 1.68 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 107.84 -2.104 . . . . 10.0 107.84 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -132.04 28.9 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 126.315 1.833 . . . . 10.0 109.168 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -144.95 128.55 17.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 111.288 -2.687 . . . . 10.0 111.581 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.75 135.2 40.32 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.903 1.335 . . . . 10.0 112.087 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -124.54 107.79 11.42 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.834 -1.985 . . . . 10.0 111.409 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.4 tp -105.38 151.78 23.77 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.57 113.17 15.76 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 112.157 -2.292 . . . . 10.0 111.87 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.443 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 1.7 mtm -112.34 133.6 54.35 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.382 1.563 . . . . 10.0 112.353 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? -140.58 142.81 35.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 110.893 -2.867 . . . . 10.0 112.389 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -175.72 132.34 0.27 Allowed 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 110.84 -2.891 . . . . 10.0 113.924 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 62.8 19.13 11.26 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 127.842 3.214 . . . . 10.0 112.602 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 93.29 -5.98 75.1 Favored Glycine 0 C--N 1.351 1.378 0 O-C-N 120.812 -1.18 . . . . 10.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 86.8 t -83.95 135.59 24.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 114.668 -0.766 . . . . 10.0 108.986 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 100.75 9.79 Favored 'General case' 0 CA--C 1.505 -0.766 0 O-C-N 126.378 2.299 . . . . 10.0 113.129 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 133.09 53.43 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 114.001 -1.454 . . . . 10.0 108.978 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.07 117.09 19.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 125.308 2.48 . . . . 10.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -101.73 152.28 21.04 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.664 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.47 134.04 43.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -134.61 135.03 41.88 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 126.015 2.072 . . . . 10.0 109.302 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.4 tptm -90.3 137.64 32.18 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 125.117 2.389 . . . . 10.0 114.468 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.416 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -98.36 128.33 44.72 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 112.917 -1.947 . . . . 10.0 108.101 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.8 t -98.89 -47.72 12.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 113.166 -1.833 . . . . 10.0 108.929 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.26 1.638 0 CA-C-O 115.694 -2.098 . . . . 10.0 114.533 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.564 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo . . . . . 0 N--CA 1.499 1.801 0 CA-C-O 126.06 2.442 . . . . 10.0 113.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 t -81.42 76.29 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 CA-C-N 112.043 -2.344 . . . . 10.0 113.759 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.62 172.24 14.01 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 112.38 -2.191 . . . . 10.0 109.276 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.85 -0.02 9.12 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 125.75 1.906 . . . . 10.0 114.389 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 39.1 t-20 -70.83 145.06 50.54 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-O 121.703 0.763 . . . . 10.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 5' ' ' ASN . . . 143.85 -125.31 2.46 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 123.71 1.728 . . . . 10.0 110.599 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.8 119.39 2.9 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 113.506 -1.347 . . . . 10.0 112.345 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.529 ' CH2' ' HE2' ' A' ' 132' ' ' LYS . 4.1 m95 -122.47 153.24 39.4 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 124.542 1.151 . . . . 10.0 109.83 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -120.11 -122.85 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 127.537 3.023 . . . . 10.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -169.94 138.98 1.82 Allowed 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.362 -1.335 . . . . 10.0 110.974 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.3 -43.94 5.3 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.426 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -178.92 170.53 1.49 Allowed 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 126.079 2.112 . . . . 10.0 112.646 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' N ' ' OG ' ' A' ' 12' ' ' SER . 21.0 m-20 -117.36 -174.35 2.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.222 -1.808 . . . . 10.0 107.993 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.08 -44.15 0.13 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 126.714 2.508 . . . . 10.0 112.792 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -137.94 37.1 2.37 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 125.075 2.369 . . . . 10.0 109.439 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 17.0 t80 -67.8 -44.03 78.29 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 111.632 -2.531 . . . . 10.0 113.201 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -24.31 62.36 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.491 -2.141 . . . . 10.0 112.869 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -30.46 57.5 Favored 'General case' 0 C--O 1.21 -1.004 0 O-C-N 128.221 3.451 . . . . 10.0 111.738 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.69 -23.12 62.42 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 110.599 -3.0 . . . . 10.0 111.301 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 mt -72.86 -33.12 65.91 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-O 125.14 2.4 . . . . 10.0 110.532 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.91 63.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 112.097 -2.319 . . . . 10.0 113.966 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-O 126.383 2.992 . . . . 10.0 113.332 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 12.4 mt -107.54 1.25 23.22 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.351 -2.659 . . . . 10.0 110.492 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 64.63 50.84 2.04 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 113.469 -1.696 . . . . 10.0 114.735 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' HD21 ' A' ' 29' ' ' LEU . 22.2 t -85.71 146.87 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 112.619 -2.082 . . . . 10.0 108.024 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -51.7 157.52 1.14 Allowed 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 110.659 -2.973 . . . . 10.0 113.583 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.66 -29.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 114.661 -1.154 . . . . 10.0 112.71 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.36 69.6 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 126.548 2.405 . . . . 10.0 114.023 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 HD21 ' CG1' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -76.41 -29.14 56.95 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-O 124.509 2.099 . . . . 10.0 115.07 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -29.27 54.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 111.612 -2.54 . . . . 10.0 109.621 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -72.3 -28.76 63.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.594 2.434 . . . . 10.0 112.395 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 HG22 ' CE2' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -78.63 -35.12 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 CA-C-N 110.308 -3.133 . . . . 10.0 110.985 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.41 75.65 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 112.108 -2.315 . . . . 10.0 114.381 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -21.89 58.66 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.144 -2.298 . . . . 10.0 112.554 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.9 -1.93 58.34 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 128.134 3.396 . . . . 10.0 110.137 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 HD21 ' CE1' ' A' ' 57' ' ' PHE . 2.4 mm? -119.05 126.46 51.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 126.84 2.587 . . . . 10.0 112.162 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -128.5 67.6 76.48 Favored Pre-proline 0 C--O 1.211 -0.964 0 CA-C-N 111.837 -2.438 . . . . 10.0 112.018 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.17 -171.67 0.37 Allowed 'Trans proline' 0 C--O 1.217 -0.57 0 O-C-N 128.619 3.957 . . . . 10.0 112.175 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.98 -176.9 4.4 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.718 -2.037 . . . . 10.0 110.79 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -140.42 157.89 44.84 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-N 112.806 -1.997 . . . . 10.0 113.658 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 52' ' ' ARG . 2.4 mt-10 -143.71 94.85 2.65 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 125.176 2.417 . . . . 10.0 111.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -94.46 127.39 46.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.558 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -131.36 128.47 61.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 O-C-N 126.816 2.572 . . . . 10.0 114.375 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 149.26 50.49 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 113.038 -1.892 . . . . 10.0 110.078 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -123.85 22.12 8.97 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 112.819 -1.992 . . . . 10.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.89 -93.44 0.32 Allowed Glycine 0 C--N 1.346 1.121 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.726 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.08 -56.62 5.74 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 112.783 -1.708 . . . . 10.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -67.69 162.25 24.12 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.228 -1.805 . . . . 10.0 114.683 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.6 ttp -155.6 73.39 0.84 Allowed 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.89 2.619 . . . . 10.0 113.823 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.8 mt -56.04 147.0 4.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-O 123.339 1.542 . . . . 10.0 110.115 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.33 121.96 61.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-N 110.877 -2.874 . . . . 10.0 110.183 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 41' ' ' GLU . 5.9 mmm180 -122.77 106.67 11.12 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 123.937 1.827 . . . . 10.0 114.502 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -94.35 96.32 9.46 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.41 -2.177 . . . . 10.0 108.434 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -91.85 93.23 8.73 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 128.009 3.318 . . . . 10.0 113.77 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.19 141.56 51.84 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 127.386 2.929 . . . . 10.0 107.689 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -78.34 -2.34 37.67 Favored 'General case' 0 CA--C 1.495 -1.153 0 O-C-N 127.016 2.697 . . . . 10.0 114.2 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CE2' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -93.85 -54.41 3.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.552 -1.204 . . . . 10.0 107.952 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -144.83 120.16 10.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 111.273 -2.694 . . . . 10.0 111.687 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -82.03 138.99 34.75 Favored 'General case' 0 CA--C 1.505 -0.77 0 O-C-N 124.677 1.236 . . . . 10.0 108.997 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -147.11 136.51 22.72 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 124.568 2.128 . . . . 10.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 62' ' ' MET . 3.6 mp -140.35 144.06 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 111.273 -2.694 . . . . 10.0 113.558 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.42 ' N ' HG21 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -153.83 152.56 30.82 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 125.673 1.858 . . . . 10.0 111.36 179.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -114.34 94.16 4.67 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 127.333 2.896 . . . . 10.0 113.17 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -80.76 119.67 23.65 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -107.81 112.2 24.73 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 127.886 3.241 . . . . 10.0 107.609 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.4 t -65.24 118.03 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.87 0 CA-C-N 113.177 -1.829 . . . . 10.0 114.527 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.21 -29.29 12.83 Favored Glycine 0 CA--C 1.501 -0.801 0 CA-C-N 112.845 -1.98 . . . . 10.0 114.889 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.38 170.03 16.93 Favored 'General case' 0 CA--C 1.497 -1.089 0 O-C-N 125.934 1.608 . . . . 10.0 114.269 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -108.83 115.14 29.52 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 112.652 -2.067 . . . . 10.0 112.652 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.92 161.03 38.56 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 113.325 -1.761 . . . . 10.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -96.34 152.6 18.44 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 124.417 2.056 . . . . 10.0 111.778 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.3 145.83 46.7 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 109.804 -3.362 . . . . 10.0 109.489 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.41 116.92 25.65 Favored 'General case' 0 CA--C 1.504 -0.815 1 O-C-N 129.604 4.315 . . . . 10.0 114.16 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 2.1 mm? -105.53 47.53 0.87 Allowed 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 122.687 1.232 . . . . 10.0 109.192 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -78.99 124.13 27.96 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 111.811 -2.45 . . . . 10.0 107.127 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.94 30.81 Favored Glycine 0 C--O 1.208 -1.476 0 C-N-CA 118.186 -1.959 . . . . 10.0 108.705 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.4 -86.55 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 O-C-N 126.544 1.967 . . . . 10.0 109.091 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -129.44 4.46 5.14 Favored 'General case' 0 CA--C 1.494 -1.177 0 O-C-N 126.047 2.092 . . . . 10.0 113.752 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 56.07 40.24 30.28 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.905 2.288 . . . . 10.0 107.389 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -78.68 -50.82 10.77 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 109.243 -3.617 . . . . 10.0 114.3 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? 25.43 105.79 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 128.753 3.783 . . . . 10.0 115.706 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.6 m -139.07 170.91 15.11 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.594 -2.548 . . . . 10.0 113.727 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.02 157.08 19.61 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 110.574 -3.012 . . . . 10.0 108.554 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 m -150.95 136.14 17.61 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.868 1.98 . . . . 10.0 110.634 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.32 106.03 6.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 126.097 2.123 . . . . 10.0 114.133 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.0 t -82.39 131.18 34.38 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 O-C-N 127.34 2.9 . . . . 10.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -128.03 119.72 26.01 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 111.735 -2.484 . . . . 10.0 110.439 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.431 ' CD1' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -89.09 111.35 22.08 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.516 -0.765 . . . . 10.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -6.45 21.55 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 113.936 -1.483 . . . . 10.0 113.621 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.46 129.15 6.47 Favored Glycine 0 N--CA 1.465 0.568 0 C-N-CA 117.815 -2.136 . . . . 10.0 111.751 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 53.26 25.91 4.78 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.723 -2.239 . . . . 10.0 113.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt 173.36 134.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 112.155 -2.293 . . . . 10.0 109.609 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 88' ' ' TRP . 6.6 tp -112.99 117.77 32.98 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.595 -2.548 . . . . 10.0 111.343 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.41 142.27 33.05 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-O 123.044 1.402 . . . . 10.0 111.712 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.1 t -138.19 96.34 3.17 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 110.874 -2.876 . . . . 10.0 111.879 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 97' ' ' GLN . 3.9 t -103.09 148.17 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 126.926 2.641 . . . . 10.0 112.435 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' ' CG1' ' A' ' 96' ' ' VAL . 5.8 mt-30 -115.04 133.52 55.97 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 126.898 2.624 . . . . 10.0 108.836 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -99.46 63.22 1.26 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 127.264 2.853 . . . . 10.0 109.997 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.65 -124.67 3.88 Favored Glycine 0 C--O 1.212 -1.226 0 CA-C-N 112.293 -2.23 . . . . 10.0 113.6 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.73 -48.66 2.02 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 111.198 -2.501 . . . . 10.0 114.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 165.42 0.14 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 127.96 3.287 . . . . 10.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -121.38 124.97 45.83 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 127.561 3.038 . . . . 10.0 114.068 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.93 7.2 59.98 Favored Glycine 0 C--O 1.209 -1.455 0 O-C-N 125.189 1.556 . . . . 10.0 109.804 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.13 164.2 25.89 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.017 -2.091 . . . . 10.0 109.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 106.9 140.69 9.81 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 110.424 -1.07 . . . . 10.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.461 ' CH2' H202 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -112.93 167.03 10.85 Favored 'General case' 0 CA--C 1.494 -1.181 0 O-C-N 126.125 1.721 . . . . 10.0 111.786 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.63 112.46 7.25 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.26 -1.791 . . . . 10.0 110.072 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.94 168.07 12.31 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.501 -2.136 . . . . 10.0 114.344 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.5 140.96 0.12 Allowed 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 126.377 2.298 . . . . 10.0 111.92 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.4 mt -115.63 136.22 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 O-C-N 127.432 2.958 . . . . 10.0 108.546 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.7 12.47 17.13 Favored 'General case' 0 CA--C 1.495 -1.145 0 O-C-N 127.2 2.812 . . . . 10.0 115.182 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.99 -95.26 0.43 Allowed Glycine 0 C--O 1.209 -1.412 0 CA-C-O 123.553 1.641 . . . . 10.0 111.847 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.5 34.69 3.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 113.239 -1.48 . . . . 10.0 110.615 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -163.46 118.52 1.65 Allowed 'General case' 0 C--O 1.21 -0.981 0 O-C-N 127.176 2.798 . . . . 10.0 111.954 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -97.85 98.42 9.81 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-O 125.069 2.366 . . . . 10.0 113.678 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 157.67 26.71 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 110.691 -2.959 . . . . 10.0 112.869 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.0 tp -149.93 131.47 14.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.547 2.405 . . . . 10.0 108.922 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.54 90.81 3.43 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 125.967 2.042 . . . . 10.0 111.595 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.412 ' CE ' H203 ' A' ' 135' ' ' RTL . 12.9 mtt -85.68 151.89 23.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.399 -1.728 . . . . 10.0 111.422 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -149.32 152.62 36.17 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 112.625 -2.08 . . . . 10.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -178.54 123.83 0.1 Allowed 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 127.128 2.767 . . . . 10.0 109.627 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.62 40.7 20.23 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-O 125.698 2.666 . . . . 10.0 114.534 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.42 1.81 71.85 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 113.019 -1.9 . . . . 10.0 113.78 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.4 t -96.48 107.75 20.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 O-C-N 126.816 2.127 . . . . 10.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.08 148.32 24.53 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 113.399 -1.728 . . . . 10.0 112.871 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.1 t -156.11 133.91 11.12 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 123.029 1.395 . . . . 10.0 113.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -124.27 123.49 40.36 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 124.741 2.21 . . . . 10.0 112.738 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -105.71 167.84 9.5 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 112.146 -2.297 . . . . 10.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.17 129.59 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 125.57 1.794 . . . . 10.0 112.214 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -123.73 156.55 35.8 Favored 'General case' 0 CA--C 1.502 -0.893 0 O-C-N 125.451 1.719 . . . . 10.0 109.744 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -133.16 109.74 9.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.529 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 1.2 ttmm -55.68 130.89 45.0 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-O 123.432 1.587 . . . . 10.0 114.183 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.56 -11.14 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 110.804 -2.907 . . . . 10.0 114.019 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.413 ' CE1' ' HD3' ' A' ' 132' ' ' LYS . 2.2 m80 . . . . . 0 C--O 1.249 1.061 0 O-C-N 127.499 2.999 . . . . 10.0 111.559 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.461 H202 ' CH2' ' A' ' 106' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo . . . . . 0 N--CA 1.493 1.482 0 N-CA-C 114.624 0.971 . . . . 10.0 114.624 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.6 t -109.35 -27.92 2.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -20.76 113.12 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 128.502 3.626 . . . . 10.0 115.312 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -94.47 -37.89 11.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.247 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.99 109.73 0.32 Allowed 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 128.054 3.346 . . . . 10.0 109.808 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.43 39.03 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 126.122 2.139 . . . . 10.0 113.92 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.502 ' CZ ' ' HG3' ' A' ' 41' ' ' GLU . 12.3 m-85 -114.49 100.87 8.62 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 124.518 2.104 . . . . 10.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.525 ' CE3' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -102.9 120.85 41.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.152 -2.749 . . . . 10.0 113.361 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.97 154.12 18.32 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 113.434 -1.712 . . . . 10.0 108.488 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.425 ' HE1' ' ND2' ' A' ' 13' ' ' ASN . 2.0 ttp -99.79 141.02 33.16 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 127.207 2.817 . . . . 10.0 108.237 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.94 -53.34 2.66 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.656 -2.975 . . . . 10.0 113.159 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -168.14 126.79 1.2 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 111.678 -2.51 . . . . 10.0 113.41 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 16' ' ' PHE . 7.7 p30 -94.82 171.92 8.48 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.173 -2.285 . . . . 10.0 112.876 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -138.51 134.09 33.48 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 128.304 3.503 . . . . 10.0 109.628 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.58 22.07 6.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 125.781 1.926 . . . . 10.0 109.633 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CG ' ' ND2' ' A' ' 13' ' ' ASN . 10.3 t80 -61.34 -51.17 69.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.43 -1.714 . . . . 10.0 113.091 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.19 -25.55 64.39 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 125.051 2.358 . . . . 10.0 112.989 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -25.97 42.71 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 108.972 -3.74 . . . . 10.0 112.43 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -75.49 -29.03 59.43 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 126.167 2.889 . . . . 10.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.76 -44.09 57.12 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 124.895 2.283 . . . . 10.0 112.202 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -62.1 -25.58 67.8 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 112.237 -2.256 . . . . 10.0 113.509 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.47 73.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 112.063 -2.335 . . . . 10.0 115.064 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.19 11.21 39.91 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 113.394 -1.73 . . . . 10.0 112.213 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.57 41.98 24.88 Favored 'General case' 0 CA--C 1.505 -0.768 0 O-C-N 128.485 3.616 . . . . 10.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.432 ' CG2' ' CB ' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -81.34 151.74 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.742 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.564 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -47.73 143.66 3.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 123.765 1.745 . . . . 10.0 112.275 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.91 -31.47 50.7 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-O 125.083 2.373 . . . . 10.0 110.383 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.39 75.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 112.1 -2.318 . . . . 10.0 112.968 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.53 -30.54 71.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.621 -1.627 . . . . 10.0 114.342 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.5 OUTLIER -72.58 -30.02 64.03 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.347 -2.661 . . . . 10.0 109.343 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.46 67.54 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 112.46 -2.155 . . . . 10.0 109.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.19 -48.96 23.8 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.152 0 O-C-N 125.74 1.9 . . . . 10.0 109.731 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.46 -23.94 52.81 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 124.487 2.089 . . . . 10.0 115.12 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -73.79 -23.42 59.69 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 110.061 -3.245 . . . . 10.0 114.569 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.49 -4.52 48.0 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 112.624 -2.08 . . . . 10.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.0 mt -107.24 172.47 6.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 112.917 -1.947 . . . . 10.0 111.331 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.25 69.44 0.03 OUTLIER Pre-proline 0 CA--C 1.503 -0.865 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -60.45 168.19 6.91 Favored 'Trans proline' 0 CA--C 1.501 -1.134 0 CA-C-O 126.13 2.471 . . . . 10.0 114.941 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -109.99 149.24 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 110.409 -3.087 . . . . 10.0 107.944 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 138.44 50.85 Favored 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.076 2.11 . . . . 10.0 114.474 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 7' ' ' TYR . 20.0 tt0 -120.63 110.18 16.11 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 124.709 2.195 . . . . 10.0 110.358 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.525 HD13 ' CE3' ' A' ' 8' ' ' TRP . 4.7 mp -99.45 146.72 8.15 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-N 110.605 -2.998 . . . . 10.0 112.95 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -146.44 78.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.481 -3.054 . . . . 10.0 110.013 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -55.77 168.35 0.45 Allowed 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 122.785 1.279 . . . . 10.0 113.257 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -149.45 154.38 38.74 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 109.134 -3.666 . . . . 10.0 108.191 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.46 106.27 1.01 Allowed Glycine 0 C--O 1.216 -1.002 0 CA-C-N 111.694 -2.503 . . . . 10.0 113.182 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 86.74 -17.44 0.36 Allowed 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 129.677 3.81 . . . . 10.0 113.739 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -114.36 -166.47 1.11 Allowed 'General case' 0 CA--C 1.5 -0.958 0 O-C-N 125.082 1.489 . . . . 10.0 109.233 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -171.57 133.67 0.8 Allowed 'General case' 0 C--O 1.212 -0.886 0 CA-C-O 123.055 1.407 . . . . 10.0 109.608 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.3 mt -126.03 134.26 66.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 CA-C-N 111.357 -2.656 . . . . 10.0 110.626 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mt -122.12 135.85 60.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 O-C-N 127.766 3.166 . . . . 10.0 110.227 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.2 111.91 19.44 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 113.235 -1.802 . . . . 10.0 108.487 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 54.9 m -101.36 113.9 27.39 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 109.006 -3.725 . . . . 10.0 108.191 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mt -104.45 114.14 28.16 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 127.881 3.238 . . . . 10.0 112.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 130.79 14.6 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 128.867 3.854 . . . . 10.0 108.834 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.79 -24.11 8.22 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 113.471 -1.695 . . . . 10.0 109.982 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -91.74 -20.3 21.69 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 124.59 1.181 . . . . 10.0 114.026 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 59' ' ' ASN . 23.3 ttm105 -169.12 149.53 4.24 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 124.974 2.321 . . . . 10.0 113.256 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -123.95 98.7 5.92 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 111.754 -2.475 . . . . 10.0 109.331 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.419 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 10.9 t80 -100.66 114.45 28.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 113.567 -1.651 . . . . 10.0 113.907 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.58 136.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 126.678 2.486 . . . . 10.0 109.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.2 mmm -150.87 154.28 36.92 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.81 -2.904 . . . . 10.0 111.462 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 3.5 p-10 -119.3 94.12 4.32 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 112.978 -1.919 . . . . 10.0 111.794 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -75.52 156.3 35.27 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 112.208 -2.269 . . . . 10.0 112.77 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -129.88 104.48 7.4 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 124.492 2.091 . . . . 10.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.46 123.59 23.45 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 CA-C-N 111.466 -2.606 . . . . 10.0 113.674 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.0 -20.55 43.01 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 111.983 -2.371 . . . . 10.0 112.069 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.26 153.72 30.39 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 123.966 1.841 . . . . 10.0 113.68 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -87.2 141.19 28.83 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 111.559 -2.564 . . . . 10.0 111.822 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -152.29 175.38 12.71 Favored 'General case' 0 CA--C 1.511 -0.519 0 O-C-N 126.63 2.456 . . . . 10.0 112.95 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.75 119.99 26.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.328 -2.214 . . . . 10.0 109.848 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.81 89.8 3.79 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 126.203 2.906 . . . . 10.0 113.758 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.44 107.41 1.36 Allowed 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 109.978 -3.283 . . . . 10.0 112.736 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 77' ' ' ILE . 7.1 tp -105.93 39.74 1.72 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 124.453 2.073 . . . . 10.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.427 ' HA ' ' CA ' ' A' ' 79' ' ' ASP . 38.5 m -83.73 1.7 41.42 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.365 -1.743 . . . . 10.0 112.068 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' HA2' ' NE ' ' A' ' 58' ' ' ARG . . . -92.41 -9.15 61.98 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 113.607 -1.633 . . . . 10.0 110.608 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.452 ' CD1' HD13 ' A' ' 74' ' ' LEU . 3.7 mp -119.61 -66.55 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 127.288 2.405 . . . . 10.0 110.216 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.432 ' CB ' ' CG2' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -123.43 -38.16 2.58 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.451 1.719 . . . . 10.0 114.959 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' CA ' ' HA ' ' A' ' 75' ' ' THR . 31.7 t0 85.76 93.92 0.03 OUTLIER 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 124.659 2.171 . . . . 10.0 113.404 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -123.31 -55.27 1.76 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.11 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.93 111.11 0.06 Allowed 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 125.564 1.79 . . . . 10.0 113.3 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 -175.46 4.45 Favored 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 117.667 -1.613 . . . . 10.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.2 mtt -98.45 117.13 32.19 Favored 'General case' 0 CA--C 1.506 -0.75 0 O-C-N 126.815 2.572 . . . . 10.0 108.361 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.9 m -121.2 144.68 48.46 Favored 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 128.943 3.902 . . . . 10.0 114.381 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.6 137.84 48.57 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 110.41 -3.087 . . . . 10.0 108.784 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.13 135.62 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-N 112.561 -2.109 . . . . 10.0 109.87 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 m -126.71 136.65 52.73 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 111.757 -2.474 . . . . 10.0 113.91 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -84.7 81.12 9.01 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 127.682 3.114 . . . . 10.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.76 80.98 4.2 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.544 -3.026 . . . . 10.0 111.976 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.68 -123.05 6.26 Favored Glycine 0 C--O 1.216 -0.982 0 O-C-N 127.622 3.076 . . . . 10.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.88 11.63 31.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.349 -1.926 . . . . 10.0 111.363 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.529 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 21.2 mtmm -128.04 148.03 50.53 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 125.982 2.051 . . . . 10.0 110.348 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.3 tp -93.93 117.06 29.58 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.59 124.6 43.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.103 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.69 161.44 29.69 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.266 2.229 . . . . 10.0 111.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.92 155.15 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-N 111.906 -2.406 . . . . 10.0 111.782 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -131.33 140.51 49.75 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.749 0.656 . . . . 10.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -107.8 69.91 0.75 Allowed 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 128.288 3.492 . . . . 10.0 111.499 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -136.85 70.96 0.48 Allowed Glycine 0 C--N 1.352 1.447 0 CA-C-N 112.702 -2.044 . . . . 10.0 114.509 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 53.47 -169.52 0.05 Allowed 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 124.476 0.751 . . . . 10.0 111.324 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.64 179.15 0.08 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -141.09 120.07 12.75 Favored 'General case' 0 CA--C 1.498 -1.019 0 C-N-CA 118.806 -1.157 . . . . 10.0 111.697 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.2 -3.19 16.38 Favored Glycine 0 C--O 1.211 -1.343 0 CA-C-N 114.395 -1.275 . . . . 10.0 112.065 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.501 ' H ' ' NE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -62.77 131.22 48.13 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 124.733 2.206 . . . . 10.0 108.151 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 148.71 138.31 2.97 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 111.031 -2.804 . . . . 10.0 112.077 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -117.45 159.78 22.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 126.831 2.136 . . . . 10.0 110.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.4 m -149.87 141.73 23.76 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 111.503 -2.589 . . . . 10.0 109.391 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.69 161.21 32.14 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 128.188 3.43 . . . . 10.0 112.51 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 92' ' ' LYS . 16.2 t-105 -168.62 136.28 2.04 Favored 'General case' 0 N--CA 1.468 0.449 1 O-C-N 129.332 4.145 . . . . 10.0 110.238 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.89 136.06 48.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 128.1 3.375 . . . . 10.0 113.223 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.18 -46.94 11.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 112.293 -2.23 . . . . 10.0 112.214 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.47 52.09 0.16 Allowed Glycine 0 C--O 1.213 -1.192 0 O-C-N 127.259 2.849 . . . . 10.0 110.829 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 159.38 -33.38 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 112.191 -2.004 . . . . 10.0 112.7 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.72 137.87 35.5 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 127.832 3.207 . . . . 10.0 110.637 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -95.54 133.13 39.91 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.773 -2.012 . . . . 10.0 111.239 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -121.98 100.55 7.04 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 110.502 -3.044 . . . . 10.0 112.114 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 tp -103.15 146.65 28.08 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 124.632 2.158 . . . . 10.0 109.842 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.06 100.32 5.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.119 -2.31 . . . . 10.0 111.965 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 9.3 mtt -88.1 146.56 25.37 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.718 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -138.7 153.4 48.52 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 114.272 -1.331 . . . . 10.0 112.972 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 175.78 138.55 0.05 Allowed 'General case' 0 C--O 1.209 -1.039 0 O-C-N 123.831 0.707 . . . . 10.0 112.183 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.32 20.35 4.59 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 125.584 1.802 . . . . 10.0 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.88 19.19 58.29 Favored Glycine 0 N--CA 1.473 1.134 0 CA-C-O 123.004 1.335 . . . . 10.0 111.736 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 44.4 t -107.21 143.82 17.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 114.332 -0.934 . . . . 10.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 98.7 m -122.46 103.36 8.66 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 124.828 1.33 . . . . 10.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -114.68 121.31 42.98 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 125.778 1.924 . . . . 10.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -109.83 141.5 42.42 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 126.91 2.631 . . . . 10.0 109.587 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -121.56 114.56 21.38 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 111.853 -2.431 . . . . 10.0 111.29 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.78 125.47 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 127.224 2.827 . . . . 10.0 113.234 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.473 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 39.7 m-85 -113.93 165.07 12.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 114.998 -1.001 . . . . 10.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -144.1 95.86 2.79 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.939 -1.482 . . . . 10.0 114.096 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -49.8 126.21 13.45 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.031 -1.895 . . . . 10.0 113.473 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.4 t -103.01 -15.81 7.79 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 O-C-N 124.868 1.355 . . . . 10.0 113.494 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 C--O 1.257 1.468 0 O-C-N 125.307 1.629 . . . . 10.0 112.946 -179.821 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.508 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 N--CA 1.508 2.38 0 CA-C-O 122.526 0.969 . . . . 10.0 112.556 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -125.98 108.45 19.42 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 CA-C-N 111.822 -2.444 . . . . 10.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -102.07 112.03 24.53 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-N 112.607 -2.088 . . . . 10.0 109.079 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.502 ' CZ ' HD11 ' A' ' 110' ' ' ILE . 10.5 m-85 -78.32 -8.1 58.02 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 127.302 2.876 . . . . 10.0 113.993 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -66.54 129.65 40.56 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 118.669 -1.212 . . . . 10.0 112.526 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.82 -173.27 22.69 Favored Glycine 0 C--O 1.21 -1.362 0 O-C-N 126.735 2.522 . . . . 10.0 108.785 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 41' ' ' GLU . 3.3 m-85 -103.41 149.75 24.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 128.599 3.176 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.524 ' CH2' ' HE2' ' A' ' 132' ' ' LYS . 1.7 m95 -148.88 115.1 5.81 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 126.553 2.408 . . . . 10.0 111.571 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -97.33 161.55 13.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 127.338 2.899 . . . . 10.0 108.367 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -98.87 127.9 44.92 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.772 3.17 . . . . 10.0 109.781 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -85.69 -67.75 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 O-C-N 125.646 1.841 . . . . 10.0 111.299 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 p -147.37 172.35 14.04 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.954 -2.839 . . . . 10.0 111.22 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -123.54 -176.48 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 125.156 1.535 . . . . 10.0 109.984 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.28 -45.74 0.63 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 113.907 1.077 . . . . 10.0 113.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.75 39.41 1.14 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 126.246 2.927 . . . . 10.0 113.012 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -69.07 -29.73 67.9 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 112.119 -2.309 . . . . 10.0 113.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.88 -38.76 64.3 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.012 -1.449 . . . . 10.0 114.166 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.35 -26.84 62.99 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.686 -1.143 . . . . 10.0 111.97 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -36.59 73.0 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 127.611 3.069 . . . . 10.0 112.293 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.9 -23.49 65.11 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 110.773 -2.921 . . . . 10.0 114.953 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -71.86 -26.87 62.53 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.033 -1.439 . . . . 10.0 112.729 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.15 92.87 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 127.46 2.975 . . . . 10.0 115.017 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.29 1.57 57.01 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 126.766 2.541 . . . . 10.0 112.507 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.01 48.45 10.78 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.983 -2.372 . . . . 10.0 112.566 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' A' ' 29' ' ' LEU . 4.6 t -79.77 129.75 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 113.159 -1.837 . . . . 10.0 110.869 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 1.7 m120 -49.59 158.0 0.49 Allowed 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 122.338 1.066 . . . . 10.0 112.6 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.62 -23.36 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 113.084 -1.871 . . . . 10.0 112.852 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.28 72.95 Favored 'General case' 0 CA--C 1.499 -0.997 0 O-C-N 126.224 2.202 . . . . 10.0 112.394 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' CD2' ' H42' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -74.92 -30.63 61.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.852 -1.522 . . . . 10.0 111.812 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -77.78 -24.53 48.89 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 125.317 2.484 . . . . 10.0 114.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -36.48 63.16 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 110.502 -3.045 . . . . 10.0 108.535 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -42.33 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.875 0 CA-C-N 109.031 -3.713 . . . . 10.0 111.445 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.6 -35.72 74.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 113.697 -1.592 . . . . 10.0 115.222 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -22.87 64.83 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 122.525 1.155 . . . . 10.0 114.095 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -112.43 20.44 16.67 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 123.562 1.649 . . . . 10.0 113.351 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -75.76 0.47 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.509 -2.132 . . . . 10.0 113.234 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 49.07 72.29 1.31 Allowed Pre-proline 0 C--O 1.208 -1.125 0 CA-C-O 125.578 2.609 . . . . 10.0 108.0 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -61.55 152.37 73.85 Favored 'Trans proline' 0 CA--C 1.499 -1.251 0 CA-C-N 111.508 -1.997 . . . . 10.0 114.849 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -107.78 88.21 2.68 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 127.606 3.066 . . . . 10.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.11 155.33 24.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -139.39 110.21 6.76 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.872 -2.877 . . . . 10.0 107.792 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.3 mt -108.8 134.79 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 O-C-N 128.45 3.594 . . . . 10.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.75 102.81 3.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 111.64 -2.527 . . . . 10.0 112.834 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.39 145.29 32.08 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.98 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -158.87 90.36 0.99 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.133 -2.303 . . . . 10.0 114.284 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.66 -109.81 2.89 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 110.568 -3.014 . . . . 10.0 111.446 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.61 0.01 41.25 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 119.647 -0.821 . . . . 10.0 109.861 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -98.29 157.83 15.94 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.758 1.911 . . . . 10.0 110.705 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -150.89 79.92 1.32 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-O 123.687 1.708 . . . . 10.0 108.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.8 mt -70.21 140.22 18.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-O 124.441 2.067 . . . . 10.0 111.065 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mt -134.84 122.21 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 112.703 -2.044 . . . . 10.0 111.563 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -108.64 172.93 6.56 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 123.827 1.775 . . . . 10.0 109.917 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.464 ' HB ' ' CB ' ' A' ' 60' ' ' TYR . 11.4 m -153.82 105.16 2.75 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.616 -2.993 . . . . 10.0 110.991 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 mt -107.04 126.35 52.22 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 110.924 -2.853 . . . . 10.0 111.781 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.75 -46.68 0.45 Allowed 'General case' 0 C--O 1.208 -1.107 0 O-C-N 127.78 3.175 . . . . 10.0 112.825 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.4 t 117.34 -7.75 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.746 1 O-C-N 130.726 5.016 . . . . 10.0 109.966 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -96.74 -58.18 2.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 110.965 -2.834 . . . . 10.0 108.341 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HB3' H171 ' A' ' 135' ' ' RTL . 0.1 OUTLIER -131.99 130.91 42.04 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 108.913 -3.767 . . . . 10.0 110.772 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -103.04 95.33 6.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.39 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.464 ' CB ' ' HB ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -97.33 138.8 34.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 112.842 -1.981 . . . . 10.0 112.817 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -142.48 126.07 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 CA-C-N 109.735 -3.393 . . . . 10.0 109.53 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -143.55 104.69 4.25 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 127.586 3.054 . . . . 10.0 113.197 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 77.48 1.64 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.173 -1.83 . . . . 10.0 108.213 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.36 114.73 9.74 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 112.031 -2.35 . . . . 10.0 112.517 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.39 135.01 42.49 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 126.079 2.112 . . . . 10.0 111.997 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.4 130.94 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 124.471 1.107 . . . . 10.0 112.436 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.19 87.08 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-O 124.537 2.187 . . . . 10.0 114.357 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.14 138.96 54.36 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.238 -1.981 . . . . 10.0 113.398 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -106.61 145.98 31.26 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 125.811 1.944 . . . . 10.0 113.335 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -154.32 177.93 10.59 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 111.817 -2.447 . . . . 10.0 109.17 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -83.53 145.7 28.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 124.33 2.014 . . . . 10.0 108.513 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -123.37 80.35 1.77 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 109.699 -3.409 . . . . 10.0 109.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.69 94.22 0.12 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.081 -3.236 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 tp -111.75 46.64 1.11 Allowed 'General case' 0 C--O 1.208 -1.117 0 O-C-N 127.86 3.225 . . . . 10.0 107.873 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.429 ' HA ' ' N ' ' A' ' 80' ' ' ARG . 11.3 t -95.85 17.53 15.03 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 109.499 -3.5 . . . . 10.0 113.943 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.91 0.25 8.37 Favored Glycine 0 C--O 1.222 -0.634 0 CA-C-N 112.64 -2.073 . . . . 10.0 112.914 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 77' ' ' ILE . 2.3 mp -108.09 -60.65 2.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-O 125.285 2.469 . . . . 10.0 106.977 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 23.4 p-10 -125.16 4.05 7.87 Favored 'General case' 0 C--O 1.213 -0.852 1 CA-C-N 108.399 -4.001 . . . . 10.0 112.724 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 71.45 38.96 0.96 Allowed 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 126.223 2.202 . . . . 10.0 114.891 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' N ' ' HA ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -128.08 -172.15 2.62 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 121.938 0.875 . . . . 10.0 112.807 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.25 153.46 25.64 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.643 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.39 162.38 3.54 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.242 2.214 . . . . 10.0 113.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.8 mtt -88.61 126.99 35.55 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 111.867 -2.424 . . . . 10.0 112.299 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 m -121.9 146.55 47.01 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 125.427 1.704 . . . . 10.0 113.868 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.2 173.14 11.8 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 111.569 -2.559 . . . . 10.0 109.543 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.441 ' CG2' ' CE1' ' A' ' 64' ' ' PHE . 15.9 t -142.87 129.78 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 125.24 2.448 . . . . 10.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.8 p -135.01 101.48 4.9 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 111.36 -2.655 . . . . 10.0 113.865 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -74.08 149.64 41.0 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 124.359 2.028 . . . . 10.0 111.664 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -102.54 -54.76 2.59 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 113.657 -1.61 . . . . 10.0 109.304 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.46 98.24 0.25 Allowed Glycine 0 C--O 1.211 -1.289 0 CA-C-O 118.049 -1.417 . . . . 10.0 110.966 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 t70 106.5 -11.9 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.75 1 O-C-N 130.469 4.276 . . . . 10.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -132.68 -179.69 5.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 126.818 2.574 . . . . 10.0 108.947 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 tp -147.7 126.72 12.82 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 127.241 2.838 . . . . 10.0 113.282 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -119.47 140.63 50.15 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.578 -1.646 . . . . 10.0 113.363 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.3 t -136.09 98.56 3.9 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 124.904 1.377 . . . . 10.0 109.728 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -96.16 146.45 7.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 1 O-C-N 129.4 4.188 . . . . 10.0 114.003 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.87 124.95 47.31 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 110.387 -3.097 . . . . 10.0 108.935 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -58.87 -53.14 61.71 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 126.331 2.269 . . . . 10.0 110.591 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 38.42 -153.93 0.02 OUTLIER Glycine 0 C--N 1.348 1.222 0 O-C-N 126.902 2.626 . . . . 10.0 114.421 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . 0.255 38.4 mm-40 -135.3 21.87 3.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 111.26 -2.47 . . . . 10.0 108.938 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.43 -165.24 0.98 Allowed 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 126.309 2.256 . . . . 10.0 111.763 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.87 109.54 7.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 112.358 -2.201 . . . . 10.0 111.766 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.62 -18.88 22.18 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 110.743 -2.935 . . . . 10.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.47 148.66 6.61 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.682 2.048 . . . . 10.0 109.721 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.57 112.34 3.17 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-N 109.621 -3.445 . . . . 10.0 107.476 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.468 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -88.06 138.38 31.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 123.386 1.565 . . . . 10.0 115.062 -179.366 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.27 144.48 31.29 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 109.704 -3.407 . . . . 10.0 107.111 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.414 ' NE2' HD21 ' A' ' 115' ' ' LEU . 7.7 tt0 -149.18 165.8 30.75 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 126.943 3.259 . . . . 10.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -163.29 157.23 19.96 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 110.217 -3.174 . . . . 10.0 110.487 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 4' ' ' PHE . 31.9 mt -115.73 148.2 18.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 CA-C-N 114.187 -1.37 . . . . 10.0 114.55 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' N ' HG21 ' A' ' 110' ' ' ILE . 1.3 mt-10 -120.63 -137.48 0.33 Allowed 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 113.324 -1.762 . . . . 10.0 110.223 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.12 -102.12 0.01 OUTLIER Glycine 0 C--O 1.21 -1.347 0 CA-C-O 126.187 3.104 . . . . 10.0 113.668 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -112.73 34.47 4.37 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.351 -1.924 . . . . 10.0 113.351 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.83 165.76 26.63 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 112.291 -2.231 . . . . 10.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -125.62 134.56 51.85 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 125.937 2.023 . . . . 10.0 109.488 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -138.56 132.64 31.42 Favored 'General case' 0 CA--C 1.503 -0.862 0 O-C-N 125.93 2.019 . . . . 10.0 111.927 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.67 155.97 48.55 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 126.367 2.292 . . . . 10.0 109.797 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -114.48 88.98 2.98 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 111.36 -2.654 . . . . 10.0 109.44 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.468 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -72.83 129.06 37.32 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.473 -2.603 . . . . 10.0 111.988 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -131.66 158.1 41.99 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 126.14 2.15 . . . . 10.0 111.497 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -179.34 130.92 0.11 Allowed 'General case' 0 N--CA 1.471 0.581 0 O-C-N 127.378 2.924 . . . . 10.0 113.053 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 46.82 39.27 7.06 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 126.803 2.564 . . . . 10.0 113.861 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.74 11.11 85.75 Favored Glycine 0 C--N 1.348 1.21 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.805 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.0 t -98.55 153.02 4.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-O 121.119 0.485 . . . . 10.0 110.542 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.8 m -133.73 121.7 22.3 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 114.525 -1.216 . . . . 10.0 113.349 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -133.05 124.21 27.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -105.29 105.06 14.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 125.032 2.349 . . . . 10.0 115.191 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -88.3 142.3 27.85 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 112.103 -2.317 . . . . 10.0 108.451 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.2 t -125.05 102.37 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 126.691 2.494 . . . . 10.0 112.09 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 1.9 m-30 -88.47 170.97 10.44 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 126.078 2.111 . . . . 10.0 108.4 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -148.79 134.72 19.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 113.272 -1.785 . . . . 10.0 110.28 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.524 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 2.4 tppp? -73.93 136.52 43.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 112.525 -2.125 . . . . 10.0 112.499 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.52 -37.27 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-N 111.604 -2.544 . . . . 10.0 113.252 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 115.361 -2.257 . . . . 10.0 109.222 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.558 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.492 1.42 0 CA-C-O 123.484 1.368 . . . . 10.0 111.352 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.429 HG12 ' CE2' ' A' ' 4' ' ' PHE . 4.8 t -93.26 131.43 40.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 CA-C-N 113.437 -1.71 . . . . 10.0 109.577 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.81 97.91 1.6 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.333 -1.758 . . . . 10.0 109.837 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.429 ' CE2' HG12 ' A' ' 2' ' ' VAL . 52.0 m-85 -80.91 -36.22 31.41 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 126.887 2.617 . . . . 10.0 113.2 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.12 144.27 7.21 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 124.987 2.327 . . . . 10.0 113.278 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.63 -159.49 21.52 Favored Glycine 0 CA--C 1.505 -0.554 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.769 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -115.54 122.25 45.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 125.696 1.469 . . . . 10.0 113.038 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.512 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 4.1 m95 -125.8 120.71 31.27 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 114.208 1.188 . . . . 10.0 114.208 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -102.78 -174.81 2.64 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 128.156 3.41 . . . . 10.0 108.472 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.44 -177.19 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.793 1.308 . . . . 10.0 110.94 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 mt -152.69 -53.21 0.11 Allowed 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 125.038 2.351 . . . . 10.0 114.684 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -144.48 158.53 43.71 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 111.462 -2.608 . . . . 10.0 113.734 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 1.1 m120 -133.68 157.83 44.79 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 124.733 2.206 . . . . 10.0 110.472 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -157.22 120.6 4.1 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 111.421 -2.627 . . . . 10.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 79.98 3.64 2.0 Allowed 'General case' 0 C--O 1.211 -0.959 0 O-C-N 127.53 3.019 . . . . 10.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -66.15 -29.27 69.54 Favored 'General case' 0 C--O 1.208 -1.11 0 O-C-N 123.861 0.726 . . . . 10.0 112.86 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -78.35 -42.04 31.72 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 125.846 2.736 . . . . 10.0 108.909 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -70.44 -28.4 65.01 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 109.39 -3.55 . . . . 10.0 114.055 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -75.02 -24.34 58.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.633 -2.076 . . . . 10.0 111.332 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.6 mt -72.15 -27.99 62.96 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 125.817 2.722 . . . . 10.0 112.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -71.52 -24.97 62.06 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 111.46 -2.609 . . . . 10.0 109.921 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.3 -38.4 78.26 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 128.358 3.536 . . . . 10.0 110.507 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -103.52 21.91 15.22 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 45.37 71.79 0.25 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 128.882 3.864 . . . . 10.0 112.876 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.0 143.79 13.76 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.075 0 CA-C-N 112.908 -1.951 . . . . 10.0 108.209 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -53.32 159.63 1.33 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 125.367 2.508 . . . . 10.0 111.801 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 t -73.66 -39.53 53.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 110.509 -3.041 . . . . 10.0 113.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.16 63.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 113.615 -1.63 . . . . 10.0 112.661 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.16 -28.21 57.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.522 1.153 . . . . 10.0 111.998 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.82 -29.43 50.64 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 113.028 -1.897 . . . . 10.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.61 -39.12 70.67 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 112.994 -1.912 . . . . 10.0 110.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.495 HG23 ' CE1' ' A' ' 57' ' ' PHE . 21.2 mt -77.64 -25.23 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 110.491 -3.049 . . . . 10.0 112.466 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.36 67.59 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.179 -1.373 . . . . 10.0 112.982 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -77.42 -27.49 52.28 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.547 -1.66 . . . . 10.0 111.793 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mt -104.02 42.65 1.16 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.233 0.613 . . . . 10.0 111.771 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -131.53 -72.16 0.55 Allowed 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 126.473 2.358 . . . . 10.0 111.758 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt 51.9 70.86 1.69 Allowed Pre-proline 0 C--O 1.208 -1.11 0 CA-C-N 114.068 -1.423 . . . . 10.0 112.382 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 22.9 Cg_endo -68.44 171.43 12.97 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 O-C-N 124.885 1.992 . . . . 10.0 113.629 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -119.44 134.46 55.21 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 110.088 -3.233 . . . . 10.0 108.853 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -98.63 141.24 31.7 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 127.32 2.887 . . . . 10.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.44 105.93 8.65 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 127.423 2.952 . . . . 10.0 108.069 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mt -100.6 144.44 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 C-N-CA 116.667 -2.013 . . . . 10.0 109.535 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.7 103.26 2.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.594 -1.639 . . . . 10.0 109.178 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -77.07 135.97 38.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 126.301 2.251 . . . . 10.0 109.428 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.11 49.21 1.95 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 124.922 2.296 . . . . 10.0 109.662 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.02 -91.71 0.53 Allowed Glycine 0 C--O 1.21 -1.351 0 CA-C-N 110.474 -3.057 . . . . 10.0 111.54 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.27 -54.82 11.1 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 123.055 1.407 . . . . 10.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -74.85 156.73 36.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.578 -2.101 . . . . 10.0 112.538 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.447 ' HE2' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -150.03 78.59 1.35 Allowed 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.703 -2.953 . . . . 10.0 109.054 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG22 ' CZ ' ' A' ' 52' ' ' ARG . 3.6 mt -78.86 128.48 38.44 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 111.761 -2.472 . . . . 10.0 112.873 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.21 138.05 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 110.358 -3.11 . . . . 10.0 110.476 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' CZ ' HG22 ' A' ' 50' ' ' ILE . 6.5 mmt-85 -120.67 101.46 7.75 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 109.983 -3.28 . . . . 10.0 113.497 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 m -89.07 86.47 6.91 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 114.381 -1.281 . . . . 10.0 109.274 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -79.34 96.01 5.87 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 125.812 1.945 . . . . 10.0 114.224 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.433 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -132.88 122.41 24.33 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.677 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.78 1.07 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 126.493 3.044 . . . . 10.0 114.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.495 ' CE1' HG23 ' A' ' 32' ' ' ILE . 5.6 t80 -82.25 -57.44 3.38 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 110.557 -3.02 . . . . 10.0 110.265 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.96 127.87 29.43 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 124.849 2.261 . . . . 10.0 113.512 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -99.01 86.1 3.39 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.458 -1.701 . . . . 10.0 111.689 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.95 130.25 36.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 126.898 2.624 . . . . 10.0 113.527 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' MET . 5.7 mt -136.85 152.59 28.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 126.177 2.173 . . . . 10.0 112.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 5.6 mtm -144.72 177.78 8.45 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 111.997 -2.365 . . . . 10.0 109.477 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -140.07 46.9 1.83 Allowed 'General case' 0 CA--C 1.502 -0.892 0 O-C-N 127.692 3.12 . . . . 10.0 109.144 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 70' ' ' PHE . 1.3 m-85 -45.7 105.81 0.07 Allowed 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 113.56 -1.655 . . . . 10.0 114.05 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 10.6 mt-30 -88.72 120.41 30.09 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 125.964 2.04 . . . . 10.0 108.372 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.92 110.44 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 114.653 1.353 . . . . 10.0 114.653 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.43 -15.05 57.79 Favored Glycine 0 C--O 1.214 -1.118 0 O-C-N 127.614 3.071 . . . . 10.0 111.793 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 5.3 tptt -98.28 150.45 21.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.368 -2.416 . . . . 10.0 111.757 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -98.54 119.64 37.6 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 111.406 -2.633 . . . . 10.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.46 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 18.0 p90 -136.97 153.59 50.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 123.957 0.903 . . . . 10.0 112.303 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -76.47 115.79 16.56 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 127.14 2.775 . . . . 10.0 112.553 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -105.35 117.94 35.3 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 126.004 2.065 . . . . 10.0 112.823 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.52 106.87 18.78 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 125.609 2.623 . . . . 10.0 110.934 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.3 mt -96.33 58.54 1.79 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 125.203 2.43 . . . . 10.0 108.83 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 t -101.88 141.28 34.97 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 110.809 -2.905 . . . . 10.0 107.238 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.81 -0.64 70.2 Favored Glycine 0 C--O 1.218 -0.901 0 N-CA-C 108.725 -1.75 . . . . 10.0 108.725 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -64.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 O-C-N 127.769 2.688 . . . . 10.0 107.561 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.96 11.66 1.6 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 109.773 -3.376 . . . . 10.0 114.017 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 t70 55.74 72.99 0.45 Allowed 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.08 147.57 5.59 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.295 -0.86 . . . . 10.0 109.445 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -129.13 143.0 50.71 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 126.309 2.256 . . . . 10.0 108.552 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.96 -178.56 7.39 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 114.94 -1.027 . . . . 10.0 109.203 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.1 mtt -98.18 126.97 43.87 Favored 'General case' 0 C--O 1.208 -1.125 0 O-C-N 125.496 1.748 . . . . 10.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.46 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 8.9 m -119.72 140.5 50.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 112.7 -2.045 . . . . 10.0 114.615 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 m -136.61 134.25 37.17 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.816 -1.993 . . . . 10.0 112.926 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.2 t -97.77 148.67 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 113.051 -1.886 . . . . 10.0 108.389 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.4 t -114.13 -44.37 3.14 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 125.072 1.483 . . . . 10.0 112.727 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.4 t90 70.93 94.03 0.08 Allowed 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.487 2.367 . . . . 10.0 112.049 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.83 107.36 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 113.331 -1.759 . . . . 10.0 107.84 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -40.77 94.16 0.01 OUTLIER Glycine 0 C--O 1.213 -1.21 0 O-C-N 129.023 3.952 . . . . 10.0 113.612 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 136.2 -47.57 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.111 4.065 . . . . 10.0 111.542 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -136.9 107.36 6.48 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 111.595 -2.548 . . . . 10.0 112.555 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' CD1' ' HE2' ' A' ' 49' ' ' MET . 7.0 tt -54.02 139.35 34.83 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.848 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -134.69 136.39 42.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.346 -1.297 . . . . 10.0 113.757 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 59.4 m -120.13 113.45 20.48 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 126.45 2.344 . . . . 10.0 109.47 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.35 135.53 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 O-C-N 126.976 2.672 . . . . 10.0 113.721 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' NE2' ' CZ2' ' A' ' 106' ' ' TRP . 10.8 mt-30 -120.23 137.89 53.96 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 113.736 -1.575 . . . . 10.0 107.839 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -48.09 51.65 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 110.35 -3.114 . . . . 10.0 113.47 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 26.83 -121.87 0.05 OUTLIER Glycine 0 C--O 1.219 -0.835 0 O-C-N 128.245 3.466 . . . . 10.0 113.71 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -167.02 37.09 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.897 0 O-C-N 126.751 2.089 . . . . 10.0 112.206 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HB3' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -119.38 -173.75 2.58 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 111.793 -2.458 . . . . 10.0 113.837 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -74.8 -71.55 0.34 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 112.233 -2.258 . . . . 10.0 116.08 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -104.71 -6.42 40.68 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-O 117.038 -1.979 . . . . 10.0 115.019 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.474 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -10.83 71.97 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.055 3.312 . . . . 10.0 115.501 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 103' ' ' GLY . . . -175.09 158.83 26.78 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 110.938 -2.846 . . . . 10.0 111.537 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.413 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 1.3 m0 -124.12 152.23 43.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.727 -1.237 . . . . 10.0 113.619 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.7 m -134.81 143.34 47.01 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.961 3.288 . . . . 10.0 110.667 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -119.72 142.18 48.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 124.035 1.874 . . . . 10.0 110.693 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -147.05 123.93 11.29 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 110.996 -2.82 . . . . 10.0 110.266 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.49 135.23 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 124.073 1.892 . . . . 10.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -125.76 70.17 1.2 Allowed 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 124.079 1.895 . . . . 10.0 111.275 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.32 -97.71 1.58 Allowed Glycine 0 C--O 1.216 -0.984 0 CA-C-N 113.558 -1.656 . . . . 10.0 113.01 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.58 24.97 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.444 0.732 . . . . 10.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.9 142.14 28.47 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 123.63 1.681 . . . . 10.0 112.415 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.73 123.59 35.24 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 109.391 -3.55 . . . . 10.0 113.404 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.35 103.89 13.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 112.061 -2.336 . . . . 10.0 109.938 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.5 tp -102.95 137.06 41.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 123.754 1.74 . . . . 10.0 113.571 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.34 103.7 7.79 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.822 -1.99 . . . . 10.0 111.01 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 7.5 mtm -105.13 154.71 19.81 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 113.371 -1.74 . . . . 10.0 111.47 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -150.13 145.8 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.617 -2.538 . . . . 10.0 113.128 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.8 117.99 0.19 Allowed 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 111.984 -2.371 . . . . 10.0 114.314 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.82 30.27 6.35 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.94 -2.391 . . . . 10.0 114.464 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.38 -6.21 77.99 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-N 113.034 -1.894 . . . . 10.0 112.127 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.7 t -84.88 152.45 3.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 N-CA-C 108.463 -0.94 . . . . 10.0 108.463 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.2 m -126.77 106.62 9.48 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 128.438 3.586 . . . . 10.0 108.953 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.1 t -106.08 133.88 50.09 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.884 -1.053 . . . . 10.0 108.652 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -131.19 111.79 12.25 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 126.827 2.579 . . . . 10.0 109.172 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -103.47 133.02 49.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.088 2.118 . . . . 10.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.88 79.8 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 C-N-CA 117.475 -1.69 . . . . 10.0 115.398 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -82.82 148.12 27.96 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 126.451 2.345 . . . . 10.0 108.338 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -126.66 142.91 51.39 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 127.418 2.949 . . . . 10.0 114.17 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.65 148.46 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 110.285 -3.143 . . . . 10.0 109.109 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.61 -61.1 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 CA-C-N 115.11 -0.95 . . . . 10.0 111.914 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.348 0 CA-C-O 113.701 -3.047 . . . . 10.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.54 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.486 1.03 0 N-CA-C 109.764 -0.898 . . . . 10.0 109.764 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 p -76.79 149.28 6.4 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 113.411 -1.722 . . . . 10.0 109.061 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 168.19 126.9 0.01 OUTLIER 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 127.292 2.87 . . . . 10.0 109.892 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -106.98 24.63 12.48 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 113.457 0.91 . . . . 10.0 113.457 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -96.31 137.09 35.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.081 1.42 . . . . 10.0 108.704 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.83 -131.39 5.59 Favored Glycine 0 C--O 1.216 -0.969 0 CA-C-O 126.251 3.139 . . . . 10.0 109.687 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -143.58 150.71 39.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.504 -2.348 . . . . 10.0 112.762 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.5 m95 -145.73 156.02 43.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 113.935 -1.484 . . . . 10.0 107.83 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -143.17 -179.75 6.58 Favored 'General case' 0 C--O 1.217 -0.618 1 O-C-N 130.34 4.775 . . . . 10.0 108.35 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.11 160.23 19.32 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 124.682 2.182 . . . . 10.0 113.192 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -146.03 -57.16 0.3 Allowed 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.392 -2.64 . . . . 10.0 110.563 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.52 162.71 39.1 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 129.123 4.014 . . . . 10.0 110.117 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.78 130.31 41.68 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 109.488 -3.506 . . . . 10.0 109.491 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.87 122.82 39.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 113.903 -1.499 . . . . 10.0 113.609 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.67 31.15 1.3 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 126.303 2.954 . . . . 10.0 114.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.457 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 47.9 t80 -65.58 -38.94 90.97 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 111.591 -2.55 . . . . 10.0 114.572 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -20.93 51.46 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 110.788 -2.915 . . . . 10.0 113.725 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -76.63 -42.29 42.78 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 110.809 -2.905 . . . . 10.0 109.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.4 ' HB2' ' HB3' ' A' ' 126' ' ' CYS . 18.3 t80 -65.13 -24.11 67.32 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.636 2.46 . . . . 10.0 111.803 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 HD23 ' C18' ' A' ' 135' ' ' RTL . 28.6 mt -74.07 -42.57 59.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 113.203 -1.817 . . . . 10.0 112.264 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -53.47 -23.92 11.53 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.477 1.911 . . . . 10.0 115.452 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.89 -22.18 56.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.149 -0.932 . . . . 10.0 113.18 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.16 22.78 15.14 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.214 -1.812 . . . . 10.0 112.859 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 48.66 57.76 5.98 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.751 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -90.08 143.82 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.091 0 CA-C-N 113.116 -1.857 . . . . 10.0 108.913 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -68.63 137.1 53.94 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.795 -2.457 . . . . 10.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -20.73 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.903 -2.408 . . . . 10.0 114.996 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.66 -31.25 41.44 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 124.739 1.275 . . . . 10.0 110.141 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.32 -23.83 59.11 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.275 -2.693 . . . . 10.0 110.446 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -68.95 -32.8 72.66 Favored 'General case' 0 C--O 1.211 -0.922 1 O-C-N 129.215 4.072 . . . . 10.0 111.254 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -41.16 58.34 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 109.766 -3.379 . . . . 10.0 113.711 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 HG23 ' CE1' ' A' ' 57' ' ' PHE . 3.1 mt -76.42 -29.69 18.96 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.098 0 O-C-N 127.142 2.776 . . . . 10.0 109.176 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.24 -26.83 65.89 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 111.992 -2.367 . . . . 10.0 113.03 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.53 -25.99 68.32 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 112.859 -1.973 . . . . 10.0 113.96 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -112.24 11.26 20.18 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 109.086 -3.688 . . . . 10.0 110.711 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tt -108.48 101.25 10.43 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 127.937 3.273 . . . . 10.0 112.266 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -143.36 75.64 16.7 Favored Pre-proline 0 CA--C 1.507 -0.683 0 O-C-N 128.653 3.721 . . . . 10.0 108.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -62.8 166.67 13.4 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 124.164 3.243 . . . . 10.0 114.357 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.0 152.15 20.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 111.826 -2.443 . . . . 10.0 109.081 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -123.34 127.94 49.21 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 125.449 2.547 . . . . 10.0 111.262 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -115.18 104.08 11.49 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 111.026 -2.806 . . . . 10.0 109.894 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 8' ' ' TRP . 4.8 mp -104.99 146.5 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 O-C-N 124.976 1.422 . . . . 10.0 112.1 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 t -133.24 85.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 112.324 -2.216 . . . . 10.0 113.439 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 126.37 29.18 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 111.668 -2.514 . . . . 10.0 110.215 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.62 67.15 0.69 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 110.278 -3.147 . . . . 10.0 110.983 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.04 -115.58 4.93 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 111.533 -2.576 . . . . 10.0 111.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.94 -6.26 48.91 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.206 1.955 . . . . 10.0 112.519 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 129.3 43.03 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.018 -2.355 . . . . 10.0 109.611 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.43 ' HE2' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -134.11 66.1 1.55 Allowed 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 126.698 3.142 . . . . 10.0 109.101 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.67 102.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.516 0 CA-C-N 110.197 -3.183 . . . . 10.0 113.086 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.6 mt -97.59 122.53 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 O-C-N 127.835 3.209 . . . . 10.0 108.633 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.88 99.61 7.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.858 -2.428 . . . . 10.0 115.158 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.09 111.15 22.69 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 109.869 -3.332 . . . . 10.0 107.649 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.89 116.02 31.2 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 111.934 -2.394 . . . . 10.0 114.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.3 137.42 27.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 124.718 2.199 . . . . 10.0 108.224 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -55.98 -23.46 32.61 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.702 -2.044 . . . . 10.0 112.433 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 32' ' ' ILE . 54.8 m-85 -81.37 -48.29 12.14 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 112.717 -2.038 . . . . 10.0 110.668 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 59' ' ' ASN . 14.0 ttm-85 -164.32 148.26 9.58 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 114.088 -1.414 . . . . 10.0 111.651 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.6 m120 -117.92 126.03 51.59 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 122.194 0.997 . . . . 10.0 109.463 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CZ ' ' HE2' ' A' ' 62' ' ' MET . 9.3 t80 -115.42 82.7 1.8 Allowed 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 113.708 -1.587 . . . . 10.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.7 124.36 38.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 112.8 -2.0 . . . . 10.0 109.822 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.408 ' HE2' ' CZ ' ' A' ' 60' ' ' TYR . 2.7 mtp -121.55 136.5 54.95 Favored 'General case' 0 C--O 1.207 -1.133 0 O-C-N 128.695 3.747 . . . . 10.0 111.4 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -113.73 54.92 0.73 Allowed 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 110.818 -2.901 . . . . 10.0 107.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' HG23 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -35.52 137.16 0.2 Allowed 'General case' 0 CA--C 1.503 -0.842 0 O-C-N 128.611 3.695 . . . . 10.0 113.247 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -138.73 92.25 2.6 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 125.402 2.525 . . . . 10.0 108.252 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.43 HG23 ' HE2' ' A' ' 49' ' ' MET . 55.2 t -58.04 133.42 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.985 0 CA-C-N 110.342 -3.117 . . . . 10.0 111.737 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.06 -6.1 83.91 Favored Glycine 0 C--O 1.214 -1.15 0 O-C-N 125.374 1.671 . . . . 10.0 112.291 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -114.93 118.68 34.14 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.713 0.768 . . . . 10.0 110.082 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 152.43 1.15 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 113.85 -1.523 . . . . 10.0 114.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.422 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -118.4 161.65 19.62 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 111.176 -2.738 . . . . 10.0 113.502 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -134.22 56.58 1.84 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 143.79 9.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 110.668 -2.969 . . . . 10.0 113.899 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.463 ' CB ' ' HD2' ' A' ' 81' ' ' LYS . 4.5 p-10 -142.78 114.43 8.03 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.119 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.3 mt -106.11 57.89 0.66 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.495 -2.593 . . . . 10.0 113.369 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.403 HG22 ' HE3' ' A' ' 81' ' ' LYS . 72.0 p -82.33 0.44 41.68 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 127.343 2.902 . . . . 10.0 111.681 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.52 -3.43 53.17 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 114.269 -1.332 . . . . 10.0 110.386 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -127.05 -65.39 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 126.034 1.667 . . . . 10.0 113.401 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.47 12.28 1.93 Allowed 'General case' 0 C--N 1.34 0.184 0 O-C-N 125.15 1.531 . . . . 10.0 113.98 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 43.0 97.12 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 126.494 2.371 . . . . 10.0 114.346 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 -43.79 1.44 Allowed 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' A' ' 73' ' ' ASP . 1.1 mptm? 61.2 101.87 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.854 1.788 . . . . 10.0 113.494 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.7 m -140.43 -178.63 5.58 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.553 -1.203 . . . . 10.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.99 143.67 39.64 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -133.96 168.31 19.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.345 1.545 . . . . 10.0 112.698 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.92 125.17 12.21 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 111.311 -2.677 . . . . 10.0 109.662 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' CE2' ' A' ' 64' ' ' PHE . 49.1 t -109.03 101.03 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 123.812 1.767 . . . . 10.0 111.596 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.1 -171.23 1.99 Allowed 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 112.83 -1.987 . . . . 10.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 5.3 p-90 -129.3 121.96 28.59 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.238 -2.255 . . . . 10.0 113.045 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.99 103.6 8.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 112.902 -1.953 . . . . 10.0 109.54 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.8 -103.39 1.98 Allowed Glycine 0 C--O 1.22 -0.729 0 O-C-N 127.184 2.802 . . . . 10.0 110.562 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.51 25.17 2.65 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 128.731 3.254 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -132.16 122.63 25.62 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 110.222 -3.172 . . . . 10.0 113.011 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.403 ' CD1' ' HE1' ' A' ' 49' ' ' MET . 6.8 tt -67.2 102.05 0.99 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-N 111.601 -2.545 . . . . 10.0 108.667 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -102.81 132.56 48.9 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 113.431 -1.713 . . . . 10.0 109.676 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.69 98.09 4.1 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 124.972 2.32 . . . . 10.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.89 162.73 3.03 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 110.39 -3.095 . . . . 10.0 109.855 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' CB ' ' HD3' ' A' ' 104' ' ' ARG . 2.8 mm100 -124.89 157.63 35.49 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 114.551 -1.204 . . . . 10.0 111.737 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 67.31 1.44 Allowed 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 124.681 2.181 . . . . 10.0 112.901 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.88 -155.38 31.5 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 120.089 -1.632 . . . . 10.0 112.629 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.58 -51.95 5.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.929 -2.135 . . . . 10.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 177.11 8.1 Favored 'General case' 0 C--O 1.205 -1.283 0 O-C-N 126.469 2.356 . . . . 10.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.463 ' HG2' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER 70.78 136.4 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.128 1 O-C-N 131.119 5.262 . . . . 10.0 110.904 178.98 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.04 61.53 0.99 Allowed Glycine 0 CA--C 1.504 -0.595 0 CA-C-N 115.475 -0.784 . . . . 10.0 112.829 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.47 ' HD3' ' CB ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -71.47 130.14 40.54 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 124.688 2.185 . . . . 10.0 110.812 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.75 114.79 0.31 Allowed Glycine 0 N--CA 1.469 0.867 0 CA-C-N 111.704 -2.498 . . . . 10.0 109.692 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -110.77 152.6 26.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 126.734 2.079 . . . . 10.0 112.991 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 132.62 43.27 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 127.261 2.851 . . . . 10.0 112.391 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -103.12 108.78 20.1 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.171 2.795 . . . . 10.0 110.073 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -133.47 136.82 45.37 Favored 'General case' 0 C--O 1.21 -0.992 1 O-C-N 130.078 4.611 . . . . 10.0 109.928 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.6 mp -111.32 135.39 50.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 O-C-N 126.417 2.323 . . . . 10.0 114.108 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -106.64 47.98 0.86 Allowed 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 126.577 2.423 . . . . 10.0 113.751 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 57.14 88.52 0.02 OUTLIER Glycine 0 C--N 1.349 1.303 0 CA-C-N 111.783 -2.462 . . . . 10.0 113.612 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 t0 70.41 36.32 1.77 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 110.801 -2.7 . . . . 10.0 113.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -160.18 102.2 1.42 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 128.207 3.442 . . . . 10.0 109.435 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.511 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 7.0 tt -74.51 99.84 3.7 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.809 -2.45 . . . . 10.0 109.497 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -99.64 92.11 5.19 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 123.582 1.658 . . . . 10.0 114.754 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.8 tp -85.24 133.28 34.18 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 113.986 -1.461 . . . . 10.0 107.546 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.72 111.71 22.87 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 128.533 3.646 . . . . 10.0 110.485 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.3 149.95 37.03 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 124.963 1.415 . . . . 10.0 111.166 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.2 mtm-85 -147.23 152.24 38.0 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 112.436 -2.165 . . . . 10.0 111.603 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 173.41 140.1 0.04 OUTLIER 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.979 -1.464 . . . . 10.0 110.28 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 102' ' ' GLU . 1.1 mt-10 45.6 36.24 2.49 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 127.777 3.173 . . . . 10.0 113.439 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.76 24.48 76.93 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-N 111.965 -2.38 . . . . 10.0 112.529 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.3 t -114.85 115.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 127.0 2.236 . . . . 10.0 109.798 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.5 m -103.44 132.17 49.92 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 123.938 1.828 . . . . 10.0 113.656 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -157.28 147.04 20.49 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 126.229 2.919 . . . . 10.0 110.643 179.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.29 142.58 35.69 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 110.221 -3.172 . . . . 10.0 111.26 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -99.47 126.32 45.37 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 113.687 -1.597 . . . . 10.0 109.629 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.21 112.09 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 111.82 -2.445 . . . . 10.0 108.41 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -122.62 173.89 7.43 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 113.04 -1.891 . . . . 10.0 109.516 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.37 145.49 31.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 127.977 3.298 . . . . 10.0 113.376 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.5 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 12.2 tttt -96.55 138.32 34.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 111.399 -2.637 . . . . 10.0 110.027 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.84 -50.3 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 113.88 -1.509 . . . . 10.0 112.994 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.383 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.554 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.489 1.225 0 CA-C-O 122.581 0.992 . . . . 10.0 112.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.37 105.62 18.85 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 CA-C-N 110.642 -2.981 . . . . 10.0 109.82 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.44 135.31 54.65 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 124.247 1.975 . . . . 10.0 110.742 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.531 ' CD1' ' HE1' ' A' ' 49' ' ' MET . 10.0 m-85 -91.17 -32.26 15.88 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 112.977 -1.919 . . . . 10.0 110.046 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.24 88.83 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 111.398 -2.637 . . . . 10.0 111.74 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.22 167.58 39.29 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-O 124.776 2.32 . . . . 10.0 113.131 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.45 109.37 20.95 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-N 111.174 -2.513 . . . . 10.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CE3' ' CD1' ' A' ' 115' ' ' LEU . 2.7 m0 -103.16 108.61 19.87 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 113.298 -1.774 . . . . 10.0 111.866 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 131' ' ' LYS . 5.4 ptmt -106.55 141.29 38.08 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 125.162 1.538 . . . . 10.0 107.043 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.433 ' HG3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.82 -178.47 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.9 3.238 . . . . 10.0 114.991 -179.223 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' N ' ' HG2' ' A' ' 10' ' ' MET . 0.4 OUTLIER -158.17 -61.78 0.08 Allowed 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 108.994 -3.73 . . . . 10.0 109.051 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -179.09 148.06 0.37 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 127.283 2.864 . . . . 10.0 111.361 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.9 150.75 49.15 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 110.181 -3.19 . . . . 10.0 112.217 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -121.98 151.67 40.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.645 -2.98 . . . . 10.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.01 24.03 7.34 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 112.658 -2.065 . . . . 10.0 110.966 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -75.92 -35.99 59.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.801 -1.545 . . . . 10.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.24 -36.67 61.26 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 125.183 1.552 . . . . 10.0 112.39 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -75.62 -28.88 59.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.673 -1.603 . . . . 10.0 112.055 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -68.75 -28.45 66.81 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 127.357 2.91 . . . . 10.0 113.848 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -73.99 -38.9 63.98 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 112.107 -2.315 . . . . 10.0 109.929 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -65.47 -24.89 67.27 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 127.112 2.757 . . . . 10.0 113.956 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.68 70.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 126.031 2.082 . . . . 10.0 114.021 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -98.68 9.27 43.68 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 126.742 2.526 . . . . 10.0 109.628 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.9 75.54 0.21 Allowed 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 126.57 2.419 . . . . 10.0 109.92 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 26' ' ' ASN . 2.1 t -116.66 144.4 24.48 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 CA-C-N 111.485 -2.598 . . . . 10.0 111.534 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' N ' HG11 ' A' ' 25' ' ' VAL . 10.0 m120 -43.3 146.28 0.48 Allowed 'General case' 0 C--N 1.345 0.37 0 O-C-N 128.167 3.417 . . . . 10.0 113.015 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.99 -20.22 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 123.255 1.502 . . . . 10.0 110.4 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.83 59.9 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 123.169 1.462 . . . . 10.0 109.63 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tp -79.83 -28.63 40.11 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 113.744 -1.571 . . . . 10.0 112.815 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -75.14 -33.93 61.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 110.693 -2.958 . . . . 10.0 109.187 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -72.53 -39.45 67.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 128.186 3.429 . . . . 10.0 111.752 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.7 mt -73.24 -44.6 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 CA-C-N 109.53 -3.486 . . . . 10.0 109.725 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.66 67.98 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 123.433 1.587 . . . . 10.0 113.746 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -33.87 69.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 123.897 1.808 . . . . 10.0 113.027 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.33 11.79 35.35 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 113.378 -1.737 . . . . 10.0 112.966 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 55' ' ' SER . 0.2 OUTLIER -82.85 -74.42 0.36 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 125.977 2.048 . . . . 10.0 114.484 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HB3' ' HG3' ' A' ' 10' ' ' MET . 0.8 OUTLIER 53.37 71.18 1.48 Allowed Pre-proline 0 CA--C 1.51 -0.569 0 C-N-CA 118.188 -1.405 . . . . 10.0 112.255 -179.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -72.88 -177.79 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.82 1.68 . . . . 10.0 113.617 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.55 112.21 7.12 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 123.945 1.831 . . . . 10.0 109.125 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.23 148.84 24.17 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 110.742 -2.936 . . . . 10.0 113.902 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -136.58 102.36 4.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 127.581 3.051 . . . . 10.0 109.438 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 2.2 mp -96.32 135.4 30.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 113.153 -1.84 . . . . 10.0 110.848 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -122.63 101.01 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 O-C-N 126.695 2.497 . . . . 10.0 113.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -82.94 122.05 27.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 111.583 -2.553 . . . . 10.0 110.698 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -120.51 16.66 12.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.209 -0.932 . . . . 10.0 112.062 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.09 -82.56 0.35 Allowed Glycine 0 N--CA 1.467 0.734 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.2 -52.01 4.89 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 110.81 -2.695 . . . . 10.0 109.646 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.437 ' ND1' ' H ' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -73.97 127.55 33.19 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 111.896 -2.411 . . . . 10.0 110.452 179.682 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -125.77 59.94 1.28 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 110.784 -2.916 . . . . 10.0 109.261 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 mt -43.59 129.4 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-N 109.549 -3.478 . . . . 10.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mt -116.49 127.81 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 112.267 -2.242 . . . . 10.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.39 144.31 50.87 Favored 'General case' 0 C--O 1.208 -1.086 0 O-C-N 124.521 1.138 . . . . 10.0 111.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.91 120.53 16.19 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 110.283 -3.144 . . . . 10.0 111.46 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -111.26 76.71 0.99 Allowed 'General case' 0 C--O 1.216 -0.66 0 O-C-N 128.994 3.934 . . . . 10.0 107.726 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 8.8 p -82.33 -4.36 57.1 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 110.904 -2.862 . . . . 10.0 112.788 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 m 62.01 21.64 12.5 Favored 'General case' 0 C--O 1.209 -1.048 0 O-C-N 125.912 2.008 . . . . 10.0 113.287 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -141.66 -68.21 0.39 Allowed 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.143 -2.299 . . . . 10.0 109.681 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' HB3' H171 ' A' ' 135' ' ' RTL . 54.1 ttm-85 -129.78 88.4 2.67 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 112.829 -1.987 . . . . 10.0 112.015 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -54.07 106.59 0.2 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 111.23 -2.714 . . . . 10.0 110.492 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -106.59 113.76 27.45 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 123.162 1.458 . . . . 10.0 113.882 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.4 HD13 ' N ' ' A' ' 61' ' ' ILE . 5.3 mp -120.97 135.69 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 113.245 -1.798 . . . . 10.0 110.374 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.2 mmt -146.47 165.04 30.61 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 110.08 -3.236 . . . . 10.0 112.016 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -127.14 70.79 1.3 Allowed 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.714 1.259 . . . . 10.0 110.006 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.45 104.92 1.06 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 128.732 3.77 . . . . 10.0 110.526 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -96.66 146.21 25.06 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.906 -1.952 . . . . 10.0 109.499 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.78 132.83 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.92 43.7 5.45 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.272 -1.786 . . . . 10.0 109.711 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? -111.08 -48.62 3.09 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 114.552 1.315 . . . . 10.0 114.552 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 86.99 132.68 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.91 0 O-C-N 127.424 2.953 . . . . 10.0 111.914 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 6.6 p90 -161.26 168.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 124.277 1.989 . . . . 10.0 112.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.3 145.91 41.42 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.135 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.02 107.65 4.84 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.306 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 114.42 23.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 112.134 -2.303 . . . . 10.0 110.315 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 74' ' ' LEU . 2.3 mm? -96.01 53.22 1.36 Allowed 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 111.661 -2.518 . . . . 10.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.4 p -70.86 -3.63 20.08 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.612 -1.631 . . . . 10.0 114.793 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.52 1.09 32.53 Favored Glycine 0 N--CA 1.471 1.014 0 C-N-CA 119.693 -1.241 . . . . 10.0 113.165 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.6 mt -117.96 -70.43 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 112.329 -1.936 . . . . 10.0 110.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -150.03 27.41 0.78 Allowed 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 114.153 1.168 . . . . 10.0 114.153 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 35.07 92.87 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.902 0 O-C-N 128.795 3.81 . . . . 10.0 114.64 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -129.66 100.14 5.4 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 109.533 -3.485 . . . . 10.0 110.195 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 123.38 33.46 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 116.667 -2.013 . . . . 10.0 108.811 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -158.09 171.5 20.11 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 128.528 3.643 . . . . 10.0 111.686 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -107.73 126.42 52.59 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 128.533 3.645 . . . . 10.0 107.359 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.6 m -109.8 151.66 26.7 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 125.911 2.007 . . . . 10.0 114.973 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.14 134.61 28.03 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 110.147 -3.206 . . . . 10.0 107.679 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.26 109.21 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 O-C-N 127.329 2.893 . . . . 10.0 114.224 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 t -98.17 141.96 30.44 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.282 0.989 . . . . 10.0 111.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' TRP . 0.0 OUTLIER -107.31 25.88 10.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.826 -1.079 . . . . 10.0 113.905 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -2.06 -66.85 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 127.482 2.989 . . . . 10.0 115.951 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.66 -97.74 0.49 Allowed Glycine 0 C--O 1.214 -1.147 0 CA-C-O 124.334 2.074 . . . . 10.0 111.583 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -109.99 27.25 9.78 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.437 1.589 . . . . 10.0 113.631 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.75 -178.36 7.24 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.719 -1.582 . . . . 10.0 112.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.44 119.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 126.171 2.169 . . . . 10.0 112.57 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.14 102.51 8.19 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.827 1.775 . . . . 10.0 108.433 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.0 t -87.71 128.59 35.3 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 110.745 -2.934 . . . . 10.0 113.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.43 131.9 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.124 0 CA-C-N 113.198 -1.819 . . . . 10.0 112.664 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HB2' ' HD2' ' A' ' 104' ' ' ARG . 34.7 mt-30 -104.2 137.5 42.03 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 111.723 -2.489 . . . . 10.0 107.573 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -93.61 51.54 1.59 Allowed 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 124.956 2.312 . . . . 10.0 114.882 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.46 158.74 15.46 Favored Glycine 0 C--O 1.219 -0.794 0 CA-C-N 112.171 -2.286 . . . . 10.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -51.91 158.59 1.0 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 118.081 -0.962 . . . . 10.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 105.88 136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 1 O-C-N 130.108 4.63 . . . . 10.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -97.16 132.24 43.13 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 112.04 -2.345 . . . . 10.0 110.035 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.07 1.79 Allowed Glycine 0 C--O 1.211 -1.34 0 N-CA-C 108.18 -1.968 . . . . 10.0 108.18 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 104' ' ' ARG . 1.2 ttp-105 -34.53 130.5 0.37 Allowed 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 129.165 3.509 . . . . 10.0 110.8 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.86 110.46 1.35 Allowed Glycine 0 C--O 1.213 -1.183 0 CA-C-N 112.723 -2.035 . . . . 10.0 109.409 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.406 ' CZ2' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.58 177.8 0.19 Allowed 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 114.438 -0.881 . . . . 10.0 112.406 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m 179.92 129.21 0.09 Allowed 'General case' 0 C--O 1.22 -0.497 0 O-C-N 127.764 3.165 . . . . 10.0 110.079 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 109' ' ' TRP . 25.2 tt0 -139.03 147.01 41.52 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 111.479 -2.6 . . . . 10.0 114.377 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.427 ' N ' ' HG2' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -157.62 124.3 4.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 110.891 -2.868 . . . . 10.0 109.546 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.3 mt -84.3 151.23 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.162 0 CA-C-N 110.756 -2.929 . . . . 10.0 112.689 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.43 -64.14 1.31 Allowed 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 123.632 1.682 . . . . 10.0 112.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.16 -102.12 1.03 Allowed Glycine 0 CA--C 1.503 -0.717 0 N-CA-C 109.088 -1.605 . . . . 10.0 109.088 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -118.34 17.97 13.75 Favored 'General case' 0 CA--C 1.494 -1.19 0 CA-C-O 122.332 1.063 . . . . 10.0 109.738 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.49 109.88 11.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 111.944 -2.389 . . . . 10.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.532 ' CD1' ' CE3' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -78.03 119.11 21.01 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 125.894 1.996 . . . . 10.0 112.605 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 16.5 t60 -116.48 152.7 33.5 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 129.008 3.943 . . . . 10.0 108.461 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 116' ' ' HIS . 1.2 pp -156.3 149.31 24.15 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 111.123 -2.762 . . . . 10.0 109.24 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -125.85 79.29 1.82 Allowed 'General case' 0 CA--C 1.494 -1.19 0 CA-C-N 114.393 -1.276 . . . . 10.0 113.439 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.492 ' CG ' ' HB3' ' A' ' 126' ' ' CYS . 23.0 ptm -74.01 166.65 23.0 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 127.574 3.046 . . . . 10.0 108.787 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -144.97 153.12 41.18 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 111.728 -2.487 . . . . 10.0 108.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -166.57 103.09 0.59 Allowed 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 126.71 2.506 . . . . 10.0 113.441 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 76.25 26.06 0.97 Allowed 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 123.555 1.645 . . . . 10.0 113.81 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.55 -17.08 58.94 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 121.02 -1.05 . . . . 10.0 112.105 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.6 t -77.21 166.35 2.74 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.067 0 CA-C-N 111.216 -2.492 . . . . 10.0 108.658 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.2 m -140.88 112.65 7.62 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 112.951 -1.932 . . . . 10.0 110.323 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 119' ' ' MET . 2.2 t -98.19 142.03 30.37 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 125.55 2.595 . . . . 10.0 113.906 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -117.55 100.43 7.64 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.321 -2.112 . . . . 10.0 113.631 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -103.11 117.82 35.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.6 t -113.06 116.42 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 O-C-N 125.599 1.812 . . . . 10.0 114.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' MET . 8.7 m-85 -114.45 141.25 47.92 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.171 1.462 . . . . 10.0 109.497 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 tptt -99.61 118.41 36.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 125.528 2.585 . . . . 10.0 112.554 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -65.93 133.56 51.15 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 124.84 2.257 . . . . 10.0 108.732 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 90.3 t -104.39 -38.43 4.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 CA-C-N 110.927 -2.851 . . . . 10.0 114.396 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--O 1.261 1.68 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.277 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.502 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 N--CA 1.506 2.229 0 N-CA-C 108.453 -1.403 . . . . 10.0 108.453 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -135.85 -31.77 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 O-C-N 127.266 2.854 . . . . 10.0 114.838 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.08 110.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.198 0.999 . . . . 10.0 109.884 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -72.82 -12.29 60.93 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 113.466 -1.697 . . . . 10.0 112.708 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.42 126.87 14.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.59 -2.096 . . . . 10.0 113.717 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.7 -171.59 34.28 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-O 124.924 2.402 . . . . 10.0 109.772 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.494 ' CE1' ' HG2' ' A' ' 41' ' ' GLU . 1.2 m-85 -117.43 87.3 2.68 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 109.914 -3.143 . . . . 10.0 109.061 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.575 ' HB2' ' CG ' ' A' ' 40' ' ' LYS . 1.7 m95 -86.6 146.44 26.34 Favored 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 127.108 3.337 . . . . 10.0 113.379 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -154.1 136.59 15.06 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 109.254 -3.612 . . . . 10.0 110.96 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.7 ttm -78.28 132.04 37.33 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 111.818 -2.446 . . . . 10.0 111.396 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 mt -98.04 -45.69 6.16 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 110.022 -3.263 . . . . 10.0 111.213 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 p -148.68 164.21 35.02 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-N 109.63 -3.441 . . . . 10.0 109.866 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -145.38 171.95 13.87 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 123.755 1.74 . . . . 10.0 109.641 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.71 140.24 18.81 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 123.817 1.77 . . . . 10.0 109.506 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 59.31 26.78 15.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 110.983 -2.826 . . . . 10.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -69.01 -32.66 72.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 124.644 2.164 . . . . 10.0 113.061 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.22 -33.37 61.36 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.425 -2.17 . . . . 10.0 112.877 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.45 -26.91 41.65 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 112.553 -2.112 . . . . 10.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -76.44 -25.26 54.22 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 123.7 1.714 . . . . 10.0 113.918 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 33' ' ' ALA . 68.9 mt -76.67 -35.75 57.74 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 112.827 -1.988 . . . . 10.0 110.28 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -76.11 -20.12 57.92 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 127.411 2.944 . . . . 10.0 113.249 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.33 67.48 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.768 3.167 . . . . 10.0 114.855 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.3 mt -105.32 13.87 29.76 Favored 'General case' 0 C--O 1.21 -0.979 0 O-C-N 126.422 2.326 . . . . 10.0 112.99 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 49.26 35.95 8.48 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.887 1.803 . . . . 10.0 111.702 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 26' ' ' ASN . 23.9 t -50.46 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 113.5 -1.682 . . . . 10.0 111.379 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' N ' HG11 ' A' ' 25' ' ' VAL . 0.7 OUTLIER 174.19 148.87 0.08 Allowed 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 125.049 1.34 . . . . 10.0 110.351 179.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 t -76.37 -31.52 20.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.88 -23.58 48.76 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 111.211 -2.722 . . . . 10.0 113.248 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.431 HD21 ' H42' ' A' ' 135' ' ' RTL . 3.8 tt -78.12 -33.89 50.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 123.522 1.629 . . . . 10.0 108.259 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -65.9 -34.81 78.99 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 111.967 -2.378 . . . . 10.0 112.288 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -65.7 -41.8 91.91 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 113.205 -1.816 . . . . 10.0 112.259 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CE1' ' A' ' 57' ' ' PHE . 1.3 mp -76.87 -38.82 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 CA-C-N 110.259 -3.155 . . . . 10.0 112.397 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -58.13 -23.0 53.43 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 120.324 -1.485 . . . . 10.0 114.274 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -72.32 -29.88 64.25 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.855 1.788 . . . . 10.0 114.555 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.06 18.81 17.61 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.344 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' CD1' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -145.49 135.27 23.49 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 126.486 3.041 . . . . 10.0 113.056 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -134.07 91.27 24.2 Favored Pre-proline 0 CA--C 1.51 -0.582 0 CA-C-N 111.213 -2.721 . . . . 10.0 108.273 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 21.8 Cg_exo -56.58 179.17 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.075 0 O-C-N 127.425 3.329 . . . . 10.0 114.614 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.11 158.77 43.71 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 111.204 -2.725 . . . . 10.0 108.558 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.575 ' CG ' ' HB2' ' A' ' 8' ' ' TRP . 1.7 ptpp? -137.41 160.63 38.55 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.073 -2.785 . . . . 10.0 115.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 23.0 mt-10 -136.36 97.79 3.67 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 111.292 -2.686 . . . . 10.0 111.964 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 8' ' ' TRP . 19.8 mt -91.78 122.8 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 O-C-N 128.414 3.571 . . . . 10.0 111.452 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -126.92 91.65 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.868 0 CA-C-N 112.886 -1.961 . . . . 10.0 110.747 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.36 160.04 7.19 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 127.687 3.117 . . . . 10.0 110.078 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.01 74.81 0.15 Allowed 'General case' 0 CA--C 1.498 -1.031 0 O-C-N 126.652 2.47 . . . . 10.0 112.971 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.28 -100.11 0.5 Allowed Glycine 0 C--O 1.21 -1.371 0 CA-C-O 123.945 1.859 . . . . 10.0 113.396 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.71 -35.0 16.98 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.96 -2.12 . . . . 10.0 110.574 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -82.07 135.41 35.33 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 113.054 -1.885 . . . . 10.0 113.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.0 ttm -122.5 108.22 12.92 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 127.087 2.742 . . . . 10.0 112.011 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.8 mt -106.04 125.43 61.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 112.145 -2.298 . . . . 10.0 113.092 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.4 HG13 HG22 ' A' ' 42' ' ' ILE . 3.7 mt -126.92 116.36 44.46 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 113.039 -1.891 . . . . 10.0 110.017 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -97.12 171.07 8.69 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 124.201 1.953 . . . . 10.0 110.53 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -151.88 108.38 3.46 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 110.677 -2.965 . . . . 10.0 109.359 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.9 mt -98.13 104.22 16.23 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 110.606 -2.997 . . . . 10.0 113.547 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.89 119.56 13.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.176 -1.374 . . . . 10.0 109.11 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.1 p -55.01 -21.9 13.54 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 127.438 2.961 . . . . 10.0 114.86 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' CE1' HG21 ' A' ' 32' ' ' ILE . 2.6 t80 -74.53 -34.54 63.01 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 125.712 2.673 . . . . 10.0 112.1 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 172.81 121.74 0.02 OUTLIER 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 111.537 -2.574 . . . . 10.0 110.773 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -86.38 132.21 34.01 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.386 -2.188 . . . . 10.0 112.625 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.504 ' CZ ' HD11 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -100.31 -138.08 0.32 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 115.213 -2.327 . . . . 10.0 106.176 179.216 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.432 ' CB ' ' O ' ' A' ' 60' ' ' TYR . 21.8 mt 127.12 139.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 1 O-C-N 129.158 4.036 . . . . 10.0 112.447 178.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.448 ' HE1' ' CE2' ' A' ' 60' ' ' TYR . 3.8 mtt -131.51 148.57 52.64 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 125.122 2.391 . . . . 10.0 110.461 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -119.53 32.52 6.04 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 112.598 -2.092 . . . . 10.0 110.94 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.36 133.17 1.9 Allowed 'General case' 0 C--O 1.216 -0.673 0 O-C-N 126.798 2.561 . . . . 10.0 114.553 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 34.3 mt-30 -112.95 150.15 32.25 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 111.568 -2.56 . . . . 10.0 108.785 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -99.62 131.09 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 O-C-N 124.108 0.88 . . . . 10.0 111.265 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.59 -3.59 86.91 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-O 124.138 1.966 . . . . 10.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 65' ' ' GLN . 6.5 mmtm -103.19 157.28 17.11 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 112.569 -1.815 . . . . 10.0 109.194 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -131.72 109.6 10.28 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 124.272 1.987 . . . . 10.0 112.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -135.36 162.91 31.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.85 -2.886 . . . . 10.0 114.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.53 163.45 18.62 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 126.146 2.154 . . . . 10.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -141.11 102.78 4.32 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 122.549 1.166 . . . . 10.0 113.572 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.8 108.08 19.32 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 111.545 -2.571 . . . . 10.0 108.308 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.65 1.35 49.65 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.727 -2.033 . . . . 10.0 113.72 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 p -40.4 107.89 0.08 Allowed 'General case' 0 CA--C 1.495 -1.158 0 O-C-N 126.685 2.49 . . . . 10.0 115.205 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.29 -11.26 7.65 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.018 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.504 HD11 ' CZ ' ' A' ' 60' ' ' TYR . 15.1 mt -112.5 -66.78 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-N 111.563 -2.319 . . . . 10.0 111.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.03 11.35 2.85 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 114.496 -1.229 . . . . 10.0 114.083 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 50.35 73.09 0.29 Allowed 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 124.467 2.079 . . . . 10.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -142.32 150.84 41.33 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.472 -3.058 . . . . 10.0 108.601 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -138.11 125.84 22.33 Favored 'General case' 0 CA--C 1.506 -0.721 0 O-C-N 128.783 3.802 . . . . 10.0 108.906 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 p -156.07 163.76 39.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 125.57 2.605 . . . . 10.0 112.709 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.0 mtm -92.92 115.16 27.86 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 109.434 -3.53 . . . . 10.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.3 m -106.04 148.65 27.51 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 125.715 1.885 . . . . 10.0 115.197 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.96 134.75 17.69 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 110.286 -3.143 . . . . 10.0 113.314 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.0 t -113.96 138.17 44.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-O 125.335 2.493 . . . . 10.0 109.16 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -139.01 161.77 36.56 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 110.672 -2.967 . . . . 10.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -94.06 157.94 15.85 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.249 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -154.95 46.63 0.53 Allowed 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 126.997 2.686 . . . . 10.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.55 -91.82 1.74 Allowed Glycine 0 C--O 1.215 -1.09 0 CA-C-N 113.54 -1.664 . . . . 10.0 111.324 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.81 -51.6 3.03 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 128.279 2.988 . . . . 10.0 111.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.414 ' HD3' HG22 ' A' ' 107' ' ' THR . 6.9 ttmt -73.42 133.54 43.76 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.002 -1.908 . . . . 10.0 108.987 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 tt -111.01 114.59 28.01 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 128.269 3.48 . . . . 10.0 110.943 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.07 145.34 30.05 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 111.998 -2.365 . . . . 10.0 110.781 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 64.1 m -130.61 83.46 2.12 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 110.739 -2.937 . . . . 10.0 108.747 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.86 154.7 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.89 0 CA-C-N 113.343 -1.753 . . . . 10.0 113.685 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -119.47 158.52 26.08 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-O 122.29 1.043 . . . . 10.0 109.18 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -127.3 46.22 2.57 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.367 -2.197 . . . . 10.0 113.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.73 -163.89 38.55 Favored Glycine 0 CA--C 1.494 -1.279 0 CA-C-N 111.615 -2.539 . . . . 10.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -99.68 146.46 26.48 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.358 -0.921 . . . . 10.0 113.026 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt 87.74 176.72 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.508 1 O-C-N 130.013 4.571 . . . . 10.0 108.598 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.07 171.94 13.62 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 124.093 0.87 . . . . 10.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.6 -91.96 1.7 Allowed Glycine 0 C--O 1.211 -1.292 0 O-C-N 127.444 2.965 . . . . 10.0 114.237 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER 15.91 97.3 0.0 OUTLIER 'General case' 0 C--O 1.216 -0.662 1 O-C-N 130.088 4.052 . . . . 10.0 114.237 179.783 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.06 138.91 3.55 Favored Glycine 0 C--O 1.211 -1.309 0 CA-C-N 110.86 -2.882 . . . . 10.0 112.744 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.477 ' CD1' ' HE2' ' A' ' 119' ' ' MET . 1.7 m0 -105.12 151.84 23.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 113.434 -1.383 . . . . 10.0 114.537 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.414 HG22 ' HD3' ' A' ' 92' ' ' LYS . 1.4 m -126.11 103.31 7.64 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 110.896 -2.865 . . . . 10.0 108.232 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 146.78 23.95 Favored 'General case' 0 CA--C 1.498 -1.042 0 O-C-N 125.851 1.969 . . . . 10.0 114.967 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -151.01 134.1 15.98 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 111.222 -2.717 . . . . 10.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mt -96.79 140.84 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-O 125.508 2.575 . . . . 10.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -137.75 178.68 6.92 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 111.495 -2.593 . . . . 10.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.72 102.59 0.06 OUTLIER Glycine 0 C--O 1.211 -1.283 0 CA-C-N 112.254 -2.248 . . . . 10.0 111.507 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.03 32.39 0.11 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.924 -2.138 . . . . 10.0 113.928 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -148.81 156.05 41.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 125.918 2.011 . . . . 10.0 110.367 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -114.54 117.99 32.49 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 113.256 -1.793 . . . . 10.0 112.829 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.24 129.22 42.44 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.46 1.6 . . . . 10.0 109.151 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.5 tp -135.98 105.03 5.91 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 112.079 -2.328 . . . . 10.0 112.973 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -95.85 70.87 2.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.003 -1.453 . . . . 10.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.477 ' HE2' ' CD1' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -63.29 141.25 58.83 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 124.06 1.886 . . . . 10.0 109.466 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -144.73 112.35 6.19 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 110.26 -3.154 . . . . 10.0 111.496 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.02 131.32 34.82 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 113.002 -1.908 . . . . 10.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.86 22.75 10.57 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.023 -2.808 . . . . 10.0 110.271 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.7 41.29 24.43 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-O 124.761 2.312 . . . . 10.0 114.265 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.53 109.87 10.82 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 125.365 2.507 . . . . 10.0 111.367 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.405 HG21 ' HE2' ' A' ' 127' ' ' LYS . 82.2 m -81.21 130.65 35.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-N 109.752 -3.386 . . . . 10.0 113.439 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.8 t -126.53 142.34 51.57 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 111.395 -2.638 . . . . 10.0 109.178 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.405 ' HE2' HG21 ' A' ' 125' ' ' THR . 40.2 mttm -136.55 114.47 11.34 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.054 1.407 . . . . 10.0 113.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.54 109.71 13.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.927 -1.942 . . . . 10.0 111.452 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.15 130.11 43.51 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-O 122.922 1.344 . . . . 10.0 113.174 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 115' ' ' LEU . 3.8 m-30 -99.5 174.23 6.36 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 110.947 -2.842 . . . . 10.0 108.948 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -152.37 102.96 2.8 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.32 1.057 . . . . 10.0 110.413 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -52.47 122.08 8.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 111.279 -2.692 . . . . 10.0 114.24 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.99 85.89 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 127.389 2.93 . . . . 10.0 107.694 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t60 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 114.773 -2.537 . . . . 10.0 112.861 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.542 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo . . . . . 0 N--CA 1.488 1.188 0 CA-C-O 122.786 1.078 . . . . 10.0 113.153 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.7 m -149.49 151.16 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 CA-C-N 112.122 -2.308 . . . . 10.0 113.072 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -104.04 112.38 25.34 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 111.932 -2.395 . . . . 10.0 112.574 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -89.57 -28.88 19.28 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.316 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -55.55 125.74 22.32 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 127.026 2.703 . . . . 10.0 110.341 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.56 -176.1 29.3 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 113.345 -1.752 . . . . 10.0 113.993 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.82 105.41 12.66 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 113.085 -1.558 . . . . 10.0 109.738 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CH2' HD13 ' A' ' 42' ' ' ILE . 7.2 m0 -96.33 102.22 13.98 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 113.25 -1.796 . . . . 10.0 113.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -93.17 151.97 19.51 Favored 'General case' 0 C--O 1.208 -1.126 0 O-C-N 125.683 1.864 . . . . 10.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.421 ' HE1' ' HE2' ' A' ' 37' ' ' LYS . 3.5 ttp -87.99 151.72 22.57 Favored 'General case' 0 C--O 1.208 -1.124 0 C-N-CA 118.65 -1.22 . . . . 10.0 113.852 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.63 -59.63 1.99 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-N 112.571 -2.104 . . . . 10.0 113.418 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -124.51 144.9 49.85 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 111.954 -2.384 . . . . 10.0 113.564 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.3 121.2 44.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.447 2.967 . . . . 10.0 107.865 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.66 128.83 33.83 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 125.027 1.455 . . . . 10.0 113.941 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.39 11.17 5.3 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 126.886 3.232 . . . . 10.0 114.263 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -55.79 -36.25 67.18 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 117.676 -3.14 . . . . 10.0 115.062 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.23 -40.43 67.77 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-N 113.158 -1.837 . . . . 10.0 111.918 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.46 -27.52 60.62 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.64 1.838 . . . . 10.0 111.566 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CE1' HD12 ' A' ' 23' ' ' LEU . 6.4 t80 -76.8 -27.31 55.17 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 129.035 3.959 . . . . 10.0 113.13 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.04 -36.26 61.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 110.883 -2.871 . . . . 10.0 113.798 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -63.63 -31.97 73.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 111.039 -2.801 . . . . 10.0 114.338 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.77 64.62 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 111.242 -2.708 . . . . 10.0 113.838 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 19' ' ' TYR . 82.4 mt -107.67 20.52 18.72 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 125.647 2.641 . . . . 10.0 115.075 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.16 43.1 29.97 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 112.757 -2.02 . . . . 10.0 114.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.0 t -88.25 126.83 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 C-N-CA 118.475 -1.29 . . . . 10.0 109.089 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -48.85 158.24 0.33 Allowed 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 125.113 2.387 . . . . 10.0 114.826 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.19 -21.38 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 CA-C-N 110.561 -3.018 . . . . 10.0 112.672 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.93 -54.14 6.65 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 111.699 -2.5 . . . . 10.0 111.437 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tp -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 126.061 2.101 . . . . 10.0 114.068 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -76.05 -23.04 55.06 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 110.043 -3.253 . . . . 10.0 111.822 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -32.2 62.96 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 110.973 -2.831 . . . . 10.0 109.3 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.0 mm -78.69 -30.88 15.12 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 O-C-N 126.306 2.254 . . . . 10.0 110.671 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.42 67.72 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 112.281 -2.236 . . . . 10.0 114.657 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.74 -20.75 58.08 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 117.306 -1.757 . . . . 10.0 113.614 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.2 mt -96.08 11.04 35.58 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 124.802 2.239 . . . . 10.0 112.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 129.2 55.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 110.637 -2.983 . . . . 10.0 114.149 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -146.28 60.78 6.52 Favored Pre-proline 0 CA--C 1.507 -0.705 0 CA-C-N 111.468 -2.605 . . . . 10.0 108.558 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 5.5 Cg_endo -66.38 168.63 15.73 Favored 'Trans proline' 0 CA--C 1.512 -0.592 0 O-C-N 126.445 2.813 . . . . 10.0 113.617 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.15 163.5 13.28 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 110.014 -3.266 . . . . 10.0 109.385 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -125.67 131.57 52.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 126.802 2.564 . . . . 10.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.39 118.36 33.64 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.502 -2.59 . . . . 10.0 108.697 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' CH2' ' A' ' 8' ' ' TRP . 17.0 mt -123.52 124.29 69.28 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 O-C-N 125.798 1.936 . . . . 10.0 111.255 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.81 68.43 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 127.149 2.781 . . . . 10.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 49' ' ' MET . 4.6 tt0 -50.73 121.27 5.63 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 125.864 1.978 . . . . 10.0 112.92 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -120.93 86.51 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 127.432 2.957 . . . . 10.0 112.919 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.22 -146.17 28.89 Favored Glycine 0 CA--C 1.494 -1.273 0 CA-C-O 125.203 2.557 . . . . 10.0 110.469 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -55.57 -34.49 64.82 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 111.807 -2.196 . . . . 10.0 108.796 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.32 158.22 19.72 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.07 -1.877 . . . . 10.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.414 ' HA ' ' HA ' ' A' ' 44' ' ' GLN . 1.3 mpp? -135.5 127.05 28.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.838 2.586 . . . . 10.0 109.692 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -101.43 131.6 48.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 CA-C-N 113.89 -1.505 . . . . 10.0 111.894 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.74 126.68 65.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.524 1.765 . . . . 10.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.11 161.57 19.21 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.814 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -148.46 107.63 3.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 110.562 -3.017 . . . . 10.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.83 87.04 2.44 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 123.618 1.675 . . . . 10.0 111.568 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -37.2 9.34 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 111.881 -2.418 . . . . 10.0 113.42 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 92.94 -7.93 0.16 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 127.678 3.111 . . . . 10.0 111.29 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.509 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 t80 -78.77 -20.12 50.62 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 112.634 -2.075 . . . . 10.0 112.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.89 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.355 0.819 0 O-C-N 127.619 3.074 . . . . 10.0 114.196 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 77.56 153.48 0.14 Allowed 'General case' 0 CA--C 1.494 -1.207 1 O-C-N 130.185 4.678 . . . . 10.0 113.519 177.148 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -170.16 101.19 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 125.472 2.558 . . . . 10.0 114.208 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.3 mm -96.28 161.67 2.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-N 111.831 -2.44 . . . . 10.0 108.388 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 -69.17 0.25 Allowed 'General case' 0 C--O 1.211 -0.951 0 O-C-N 126.068 2.105 . . . . 10.0 111.369 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 76.71 104.31 0.07 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.505 -2.589 . . . . 10.0 109.737 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.98 153.12 22.97 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 113.743 -1.572 . . . . 10.0 114.792 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -132.87 111.96 11.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 113.545 -1.661 . . . . 10.0 109.134 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.07 148.93 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 126.265 2.228 . . . . 10.0 110.743 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.68 21.99 7.76 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-N 113.677 -1.601 . . . . 10.0 114.562 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -132.63 154.16 50.36 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 124.26 1.981 . . . . 10.0 111.615 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 84' ' ' THR . 22.4 tp10 -96.36 151.77 19.22 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.005 -2.362 . . . . 10.0 109.924 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.43 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 9.9 p90 -167.9 160.83 12.59 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.204 -1.816 . . . . 10.0 110.113 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -74.09 155.77 38.13 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.875 -2.875 . . . . 10.0 109.965 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -118.6 51.81 1.08 Allowed 'General case' 0 C--O 1.208 -1.091 0 O-C-N 127.786 3.179 . . . . 10.0 114.233 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.7 116.41 2.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 110.745 -2.934 . . . . 10.0 107.742 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 80' ' ' ARG . 1.7 mt -111.71 9.81 20.95 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 126.849 2.593 . . . . 10.0 113.443 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 m -57.36 127.25 31.02 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 126.027 2.079 . . . . 10.0 107.558 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.03 14.95 Favored Glycine 0 C--O 1.222 -0.651 0 O-C-N 125.777 1.923 . . . . 10.0 109.174 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.84 -70.16 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 127.751 2.677 . . . . 10.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -137.96 20.87 2.84 Favored 'General case' 0 C--O 1.207 -1.144 0 O-C-N 125.193 1.558 . . . . 10.0 113.698 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 41.2 85.49 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 125.273 1.608 . . . . 10.0 114.679 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.9 mmp_? -148.06 156.06 42.2 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 111.673 -2.512 . . . . 10.0 111.204 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -140.56 100.86 3.97 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 109.936 -3.302 . . . . 10.0 111.594 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.25 167.97 20.89 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 114.402 -1.272 . . . . 10.0 112.766 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 140.61 29.85 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 126.089 2.118 . . . . 10.0 111.577 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.43 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 95.2 m -131.57 129.18 40.63 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 112.253 -2.249 . . . . 10.0 113.951 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 151.85 38.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 111.563 -2.562 . . . . 10.0 108.681 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.1 t -133.14 127.66 54.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.03 0 CA-C-N 113.569 -1.65 . . . . 10.0 108.452 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -133.23 141.79 48.22 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 110.082 -3.236 . . . . 10.0 112.281 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.498 ' CZ2' HD12 ' A' ' 93' ' ' LEU . 25.5 m95 -79.75 113.29 17.79 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.755 2.534 . . . . 10.0 113.34 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -40.97 18.95 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-O 124.565 2.126 . . . . 10.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.88 107.22 1.16 Allowed Glycine 0 C--O 1.208 -1.497 0 CA-C-N 110.92 -2.855 . . . . 10.0 110.705 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.9 m-20 61.4 21.43 12.0 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 126.006 1.651 . . . . 10.0 112.449 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 92.79 0.81 Allowed 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.305 2.253 . . . . 10.0 111.312 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.498 HD12 ' CZ2' ' A' ' 88' ' ' TRP . 4.7 tp -55.42 110.43 0.69 Allowed 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 127.906 3.254 . . . . 10.0 112.479 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -111.03 125.17 53.46 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 114.495 1.294 . . . . 10.0 114.495 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.0 m -121.83 137.06 54.92 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 126.8 2.563 . . . . 10.0 109.492 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.5 145.77 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 O-C-N 128.195 3.435 . . . . 10.0 109.705 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 104' ' ' ARG . 27.7 mt-30 -111.57 102.34 10.68 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 128.095 3.372 . . . . 10.0 108.848 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -36.8 -38.28 0.17 Allowed 'General case' 0 C--O 1.21 -1.02 0 O-C-N 129.063 3.977 . . . . 10.0 112.446 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -9.28 -101.41 0.0 OUTLIER Glycine 0 CA--C 1.5 -0.894 1 O-C-N 130.744 5.028 . . . . 10.0 115.395 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -174.97 -46.39 0.01 OUTLIER 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.187 0.517 . . . . 10.0 111.855 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.427 ' CA ' ' HE3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -40.05 130.13 2.13 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 125.99 2.056 . . . . 10.0 112.735 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.83 109.53 18.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.37 -1.286 . . . . 10.0 110.331 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.39 -16.01 7.15 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.363 -1.744 . . . . 10.0 109.214 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.402 ' HB3' ' HB2' ' A' ' 97' ' ' GLN . 2.7 mtt180 -63.85 128.17 34.61 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 113.556 -1.322 . . . . 10.0 110.706 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.15 110.97 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 113.336 -1.756 . . . . 10.0 112.566 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.504 ' CZ2' H203 ' A' ' 135' ' ' RTL . 2.4 m0 -66.13 160.14 24.68 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 124.454 2.074 . . . . 10.0 114.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.28 142.8 22.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.397 -3.092 . . . . 10.0 108.536 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.24 -170.22 2.21 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 110.433 -3.076 . . . . 10.0 111.924 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -163.81 -63.85 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 123.635 1.683 . . . . 10.0 113.431 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.467 ' CG1' HD13 ' A' ' 115' ' ' LEU . 42.1 mt 70.81 106.93 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-N 113.622 -1.626 . . . . 10.0 110.997 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.08 -32.15 8.84 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 111.311 -2.677 . . . . 10.0 114.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.66 110.95 3.47 Favored Glycine 0 C--O 1.22 -0.746 0 O-C-N 128.05 3.344 . . . . 10.0 109.999 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 75.61 35.16 0.55 Allowed 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.291 2.995 . . . . 10.0 110.047 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 154.94 126.52 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.749 1 O-C-N 129.736 4.398 . . . . 10.0 111.912 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -111.23 166.91 10.69 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 126.242 2.214 . . . . 10.0 107.173 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -151.8 103.41 2.93 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 127.87 3.231 . . . . 10.0 111.325 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.44 136.09 44.65 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 126.702 2.501 . . . . 10.0 108.866 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -109.53 85.51 2.12 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 125.515 1.76 . . . . 10.0 111.337 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.9 mtm -74.15 127.21 32.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 O-C-N 125.711 1.882 . . . . 10.0 109.074 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -138.55 150.21 46.11 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.59 -3.005 . . . . 10.0 111.75 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 173.85 122.22 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.158 2.787 . . . . 10.0 110.297 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 79.9 0.37 2.11 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 124.911 1.382 . . . . 10.0 113.579 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 114.61 -1.98 23.34 Favored Glycine 0 C--O 1.218 -0.888 0 O-C-N 126.342 2.276 . . . . 10.0 114.849 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.9 m -88.0 172.8 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-O 124.068 1.889 . . . . 10.0 110.013 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -143.99 87.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 111.017 -2.811 . . . . 10.0 114.071 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.2 129.26 40.87 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 126.678 2.486 . . . . 10.0 109.745 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.21 126.56 39.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 112.07 -2.332 . . . . 10.0 112.862 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.544 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 31.3 mt-30 -116.51 91.96 3.74 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-N 111.463 -2.608 . . . . 10.0 107.919 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.27 90.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 127.103 2.752 . . . . 10.0 108.919 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.544 ' CE2' ' CB ' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -84.81 -175.69 5.89 Favored 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 127.192 2.808 . . . . 10.0 109.576 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -145.63 132.21 19.84 Favored 'General case' 0 CA--C 1.5 -0.97 0 O-C-N 125.723 1.89 . . . . 10.0 111.372 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -83.22 132.91 35.03 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 127.403 2.94 . . . . 10.0 108.991 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.4 t -90.48 -15.79 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 114.703 -1.135 . . . . 10.0 112.102 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.1 t60 . . . . . 0 C--O 1.259 1.571 0 CA-C-O 117.339 -1.315 . . . . 10.0 110.341 -179.856 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.504 H203 ' CZ2' ' A' ' 106' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.51 2.476 0 N-CA-C 107.97 -1.589 . . . . 10.0 107.97 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 t -113.37 120.32 63.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 112.075 -2.33 . . . . 10.0 109.251 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -119.05 104.71 10.72 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 127.215 2.822 . . . . 10.0 112.239 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' A' ' 110' ' ' ILE . 6.3 m-85 -78.54 -46.14 20.19 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 111.267 -2.697 . . . . 10.0 109.048 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -40.24 146.17 0.14 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 128.219 3.449 . . . . 10.0 113.104 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.513 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 134.5 -110.57 0.86 Allowed Glycine 0 C--N 1.342 0.894 0 CA-C-N 109.896 -3.32 . . . . 10.0 114.93 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.446 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -153.8 125.44 7.64 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 116.178 -2.209 . . . . 10.0 112.834 -179.689 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.622 ' N ' ' CD2' ' A' ' 8' ' ' TRP 0.277 0.9 OUTLIER -117.87 127.33 53.76 Favored 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 130.505 4.878 . . . . 10.0 113.999 -178.312 . . . . . . . . 5 4 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -133.4 147.95 51.78 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 125.133 1.521 . . . . 10.0 107.543 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttt -76.16 146.48 39.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 123.507 1.623 . . . . 10.0 114.695 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' CD1' ' HD2' ' A' ' 131' ' ' LYS . 5.3 tp -120.86 -42.14 2.52 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 111.742 -2.481 . . . . 10.0 114.049 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -173.93 171.61 3.63 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 125.687 1.867 . . . . 10.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 137.67 50.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.541 -1.663 . . . . 10.0 108.333 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.69 -54.23 3.86 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 126.029 2.081 . . . . 10.0 113.646 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -152.19 41.19 0.64 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.091 -1.413 . . . . 10.0 110.407 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.434 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -76.09 -23.64 55.0 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-O 122.557 1.17 . . . . 10.0 112.452 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -71.63 -43.26 66.45 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 112.506 -2.134 . . . . 10.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -75.23 -27.18 59.4 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.087 1.422 . . . . 10.0 111.059 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -62.74 -44.51 96.02 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 113.241 -1.799 . . . . 10.0 113.988 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 19.6 mt -60.32 -22.01 62.7 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.546 1.641 . . . . 10.0 113.612 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -33.01 74.93 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 125.874 2.75 . . . . 10.0 114.147 -179.702 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.94 85.46 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.452 -2.158 . . . . 10.0 115.557 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -91.77 14.53 15.12 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.611 1.196 . . . . 10.0 112.662 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 55.43 35.56 25.3 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 124.23 1.967 . . . . 10.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.51 134.49 29.9 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.07 0 CA-C-N 111.655 -2.52 . . . . 10.0 108.044 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -46.58 161.18 0.06 Allowed 'General case' 0 C--O 1.214 -0.795 0 O-C-N 125.918 2.011 . . . . 10.0 114.545 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.16 -32.58 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 0 O-C-N 125.307 1.629 . . . . 10.0 110.215 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.4 73.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 126.232 2.207 . . . . 10.0 114.73 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -31.6 61.07 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-N 113.708 -1.587 . . . . 10.0 112.32 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -75.05 -31.5 61.31 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.489 -1.232 . . . . 10.0 109.461 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -68.19 -39.15 82.57 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.975 -2.375 . . . . 10.0 112.073 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -71.72 -29.28 33.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 CA-C-N 111.316 -2.674 . . . . 10.0 112.524 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.99 63.55 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 111.946 -2.388 . . . . 10.0 114.746 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -66.36 -20.97 66.22 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.881 -1.509 . . . . 10.0 114.154 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.69 -1.19 12.17 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 126.031 2.082 . . . . 10.0 114.182 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -99.82 143.67 29.77 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 126.886 2.616 . . . . 10.0 114.069 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.77 86.06 3.92 Favored Pre-proline 0 C--O 1.209 -1.068 0 O-C-N 126.834 2.584 . . . . 10.0 108.77 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -78.22 173.05 14.44 Favored 'Trans proline' 0 CA--C 1.506 -0.921 0 O-C-N 128.074 3.671 . . . . 10.0 110.544 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.53 138.61 54.51 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 111.655 -2.521 . . . . 10.0 108.964 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -94.48 168.69 10.71 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 114.464 -1.244 . . . . 10.0 110.688 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 24.8 tt0 -151.64 89.5 1.49 Allowed 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 128.674 3.734 . . . . 10.0 111.662 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.475 ' HB ' ' CZ2' ' A' ' 8' ' ' TRP . 23.3 mm -76.81 159.2 5.19 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-O 123.203 1.478 . . . . 10.0 109.934 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.2 t -151.43 90.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-O 123.998 1.856 . . . . 10.0 113.352 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -76.33 126.96 31.93 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 110.774 -2.921 . . . . 10.0 109.723 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -110.48 -71.91 0.74 Allowed 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 124.186 1.946 . . . . 10.0 110.849 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.0 102.71 0.19 Allowed Glycine 0 C--O 1.221 -0.704 0 N-CA-C 108.589 -1.805 . . . . 10.0 108.589 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 82.21 17.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 129.045 3.438 . . . . 10.0 108.751 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -151.71 176.52 11.31 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 125.43 1.706 . . . . 10.0 108.561 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.4 ttm -168.91 122.98 0.84 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-N 110.985 -2.825 . . . . 10.0 114.379 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.82 129.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 O-C-N 126.495 2.372 . . . . 10.0 108.553 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -112.5 112.33 40.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 110.357 -3.11 . . . . 10.0 112.38 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.76 143.19 44.41 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 125.473 2.558 . . . . 10.0 111.574 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -126.41 117.33 22.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 110.995 -2.82 . . . . 10.0 108.086 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.73 105.51 13.12 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.967 -1.924 . . . . 10.0 113.672 -179.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -123.96 179.64 4.76 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 112.852 -1.976 . . . . 10.0 109.531 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -93.4 -10.89 33.65 Favored 'General case' 0 CA--C 1.507 -0.7 0 O-C-N 127.238 2.836 . . . . 10.0 108.78 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -94.17 -28.14 15.82 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.304 -1.358 . . . . 10.0 113.276 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 175.7 156.07 0.2 Allowed 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 124.235 1.969 . . . . 10.0 111.917 179.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -108.5 104.89 14.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.694 -2.957 . . . . 10.0 111.396 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.24 128.98 39.44 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.168 -0.924 . . . . 10.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mm -121.24 162.41 20.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 O-C-N 124.604 1.19 . . . . 10.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.46 129.3 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 114.737 -1.12 . . . . 10.0 109.796 -179.541 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.85 113.95 27.86 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.19 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -97.91 112.0 24.09 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 124.574 2.131 . . . . 10.0 115.278 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -103.96 119.19 38.4 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 112.96 -1.927 . . . . 10.0 108.693 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.83 125.21 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 CA-C-N 111.583 -2.553 . . . . 10.0 114.221 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.56 90.13 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.801 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -106.73 136.88 45.79 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 113.551 -1.324 . . . . 10.0 107.911 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.14 120.61 41.02 Favored 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 127.595 3.059 . . . . 10.0 109.138 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -136.8 161.85 34.85 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 125.935 2.022 . . . . 10.0 112.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.67 149.43 41.94 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 110.883 -2.871 . . . . 10.0 109.086 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -118.31 144.11 46.09 Favored 'General case' 0 C--O 1.209 -1.035 1 O-C-N 129.268 4.105 . . . . 10.0 110.248 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -121.23 95.36 4.66 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 111.332 -2.667 . . . . 10.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.6 mt -94.05 56.23 2.21 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 125.856 1.973 . . . . 10.0 111.204 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.1 p -95.23 119.89 34.52 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 109.419 -3.537 . . . . 10.0 109.096 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.77 -10.7 12.26 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 108.428 -1.869 . . . . 10.0 108.428 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.1 -67.9 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 113.519 -1.34 . . . . 10.0 111.647 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.21 -32.65 5.92 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 127.385 2.928 . . . . 10.0 113.127 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 80.25 79.21 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 124.546 2.117 . . . . 10.0 109.369 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -177.63 176.54 1.24 Allowed 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 112.466 -2.152 . . . . 10.0 109.98 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -138.29 153.81 49.04 Favored 'General case' 0 CA--C 1.497 -1.08 0 C-N-CA 118.16 -1.416 . . . . 10.0 112.25 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 p -144.28 165.89 26.6 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 124.68 2.181 . . . . 10.0 113.08 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.2 mtt -105.7 119.88 40.27 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 111.554 -2.566 . . . . 10.0 109.83 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.01 144.45 35.31 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.417 -1.265 . . . . 10.0 113.568 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.76 123.11 11.62 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.871 3.232 . . . . 10.0 109.622 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 50.0 t -98.85 117.59 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 123.931 1.824 . . . . 10.0 112.776 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 t -130.78 78.0 1.82 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.22 -2.718 . . . . 10.0 111.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.451 ' N ' ' CD1' ' A' ' 88' ' ' TRP . 0.1 OUTLIER -48.07 146.38 2.62 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 110.488 -3.051 . . . . 10.0 110.498 179.894 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.58 96.17 3.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 124.829 2.252 . . . . 10.0 111.866 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.57 -122.17 9.24 Favored Glycine 0 N--CA 1.471 1.016 0 CA-C-N 110.872 -2.876 . . . . 10.0 110.988 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.35 2.94 48.81 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 124.428 1.091 . . . . 10.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -116.29 150.31 37.83 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 124.716 2.198 . . . . 10.0 111.869 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 105.07 11.63 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 112.224 -2.262 . . . . 10.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -97.12 150.32 20.98 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 127.958 3.286 . . . . 10.0 112.891 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.0 m -144.48 121.3 11.25 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 112.982 -1.917 . . . . 10.0 113.438 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.73 136.43 56.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 112.449 -2.16 . . . . 10.0 110.43 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' HG3' ' HA2' ' A' ' 105' ' ' GLY . 2.9 mt-30 -121.43 137.7 54.6 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 114.777 -1.101 . . . . 10.0 108.968 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -111.46 83.14 1.72 Allowed 'General case' 0 C--O 1.21 -0.997 0 O-C-N 128.233 3.458 . . . . 10.0 112.858 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.61 -68.51 1.31 Allowed Glycine 0 C--O 1.211 -1.329 0 CA-C-N 110.625 -2.989 . . . . 10.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 175.02 -41.85 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 124.71 2.195 . . . . 10.0 110.275 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -75.69 152.47 37.51 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 111.916 -2.402 . . . . 10.0 108.864 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -93.69 146.25 23.98 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 127.138 2.774 . . . . 10.0 112.415 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.66 46.25 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 110.096 -3.229 . . . . 10.0 112.52 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.8 mtp85 -55.6 114.23 1.77 Allowed 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.123 2.308 . . . . 10.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' HA2' ' HG3' ' A' ' 97' ' ' GLN . . . 140.11 146.51 4.85 Favored Glycine 0 C--O 1.219 -0.809 0 N-CA-C 108.346 -1.901 . . . . 10.0 108.346 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.461 ' CH2' H151 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -129.54 168.45 16.37 Favored 'General case' 0 C--O 1.208 -1.129 0 CA-C-O 122.574 1.178 . . . . 10.0 113.703 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.4 m -128.48 146.43 50.82 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 110.389 -3.096 . . . . 10.0 108.993 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.34 134.93 53.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 129.006 3.941 . . . . 10.0 110.344 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -157.88 106.09 2.02 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.574 -2.103 . . . . 10.0 113.462 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 4' ' ' PHE . 2.9 mt -74.94 142.41 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-N 111.157 -2.747 . . . . 10.0 109.923 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -124.08 70.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.084 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.15 -90.64 1.11 Allowed Glycine 0 N--CA 1.471 0.994 0 CA-C-O 123.247 1.471 . . . . 10.0 113.722 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.37 26.14 10.69 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.386 -0.907 . . . . 10.0 109.564 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -138.04 124.54 20.77 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 123.171 1.462 . . . . 10.0 112.436 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.6 tp -96.88 80.38 3.01 Favored 'General case' 0 CA--C 1.493 -1.228 0 CA-C-N 114.546 -1.206 . . . . 10.0 110.802 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 24.1 t60 -90.3 150.64 21.83 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 125.634 2.635 . . . . 10.0 114.523 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -153.01 151.82 30.7 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 111.988 -2.369 . . . . 10.0 110.192 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -112.56 116.52 30.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.531 -1.668 . . . . 10.0 110.126 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 mtt -102.25 159.43 15.41 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 113.995 -1.457 . . . . 10.0 108.589 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -155.18 139.33 16.52 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 113.819 -1.537 . . . . 10.0 111.705 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -158.55 115.57 2.82 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.066 2.104 . . . . 10.0 113.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 63.45 25.84 14.65 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.402 -3.09 . . . . 10.0 114.032 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.35 59.74 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 118.711 -1.709 . . . . 10.0 112.928 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.4 t -104.23 138.34 29.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -105.98 131.57 53.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 124.528 1.143 . . . . 10.0 113.145 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.96 127.05 9.06 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 125.591 1.807 . . . . 10.0 109.314 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 111.52 11.99 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 125.896 1.998 . . . . 10.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -76.2 145.84 39.54 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 112.429 -2.169 . . . . 10.0 107.701 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.79 84.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 O-C-N 126.744 2.527 . . . . 10.0 113.413 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -81.48 149.75 28.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 110.757 -2.929 . . . . 10.0 108.529 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' HD2' ' CD1' ' A' ' 11' ' ' LEU . 8.1 mttt -113.33 139.59 48.73 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 127.518 3.011 . . . . 10.0 112.577 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -80.85 122.91 27.8 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 112.432 -2.167 . . . . 10.0 111.218 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -95.64 -7.89 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 113.142 -1.845 . . . . 10.0 109.329 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.235 -1.348 . . . . 10.0 111.947 -179.783 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.52 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo . . . . . 0 N--CA 1.502 2.017 0 CA-C-O 125.087 2.036 . . . . 10.0 108.831 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.01 164.77 14.96 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 CA-C-N 112.125 -2.307 . . . . 10.0 110.178 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.26 143.61 49.06 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 125.215 1.572 . . . . 10.0 109.56 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -112.89 2.54 15.91 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.658 1.355 . . . . 10.0 114.658 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -69.61 131.94 45.42 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 117.927 -1.509 . . . . 10.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.36 -170.69 39.64 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 117.774 -2.155 . . . . 10.0 111.693 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -115.63 91.02 3.47 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 128.024 2.838 . . . . 10.0 108.415 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 130' ' ' PHE . 5.3 m0 -86.65 151.93 23.01 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.314 -1.766 . . . . 10.0 109.004 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt 173.93 157.53 0.14 Allowed 'General case' 0 C--O 1.213 -0.851 0 O-C-N 127.452 2.97 . . . . 10.0 113.76 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.405 ' HB3' ' HG3' ' A' ' 131' ' ' LYS . 8.9 ttm 65.98 86.67 0.13 Allowed 'General case' 0 CA--C 1.497 -1.076 0 CA-C-O 124.563 2.125 . . . . 10.0 115.362 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -112.39 101.68 9.86 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.355 -2.202 . . . . 10.0 109.836 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t -48.74 94.93 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 111.514 -2.585 . . . . 10.0 109.632 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LEU . 32.4 m120 -44.71 131.68 6.76 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.415 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -148.96 111.67 4.8 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 127.159 2.787 . . . . 10.0 111.214 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 61.53 23.42 13.7 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-O 125.112 2.387 . . . . 10.0 110.328 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.53 -39.33 62.42 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 109.295 -3.593 . . . . 10.0 113.565 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HB2' ' HG3' ' A' ' 30' ' ' ARG . 7.6 pt-20 -79.9 -29.98 39.99 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 113.346 -1.752 . . . . 10.0 109.409 -179.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -74.49 -20.27 60.06 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 124.461 2.077 . . . . 10.0 110.523 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -78.06 -24.43 47.71 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 111.618 -2.537 . . . . 10.0 112.79 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 89.9 mt -73.43 -26.62 61.03 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.872 -1.058 . . . . 10.0 112.931 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.58 -23.0 58.68 Favored 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.377 2.923 . . . . 10.0 112.622 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -27.08 64.73 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.634 1.683 . . . . 10.0 111.296 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.62 8.97 33.39 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 113.843 -1.526 . . . . 10.0 113.664 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 51.92 64.82 1.7 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 114.05 -1.432 . . . . 10.0 114.386 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -112.7 152.43 14.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 114.788 -1.096 . . . . 10.0 109.237 179.812 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -34.45 134.67 0.2 Allowed 'General case' 0 N--CA 1.474 0.748 1 O-C-N 130.027 4.579 . . . . 10.0 111.532 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -22.29 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 O-C-N 126.856 2.597 . . . . 10.0 113.801 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.26 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 110.549 -3.023 . . . . 10.0 113.231 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -23.88 63.49 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 125.048 2.356 . . . . 10.0 113.032 179.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 2.0 ttt180 -79.8 -28.09 40.27 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 111.548 -2.569 . . . . 10.0 110.497 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.24 67.02 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 125.181 2.42 . . . . 10.0 114.239 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.494 HG22 ' CZ ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -74.69 -35.23 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-N 111.362 -2.654 . . . . 10.0 114.172 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -27.1 66.22 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.151 -2.295 . . . . 10.0 114.986 -179.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.57 -24.25 63.67 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 123.475 1.607 . . . . 10.0 112.169 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.05 17.64 17.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 123.172 1.463 . . . . 10.0 113.285 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 tp -101.03 92.06 4.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.983 -1.917 . . . . 10.0 114.028 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -103.22 109.27 61.33 Favored Pre-proline 0 N--CA 1.476 0.858 0 CA-C-N 110.723 -2.944 . . . . 10.0 106.632 179.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.283 0.0 OUTLIER -112.25 -168.13 0.02 OUTLIER 'Trans proline' 0 CA--C 1.492 -1.579 0 C-N-CA 121.698 1.599 . . . . 10.0 114.732 -178.59 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -133.55 170.63 15.23 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 112.461 -2.154 . . . . 10.0 108.015 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -146.53 142.02 27.6 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 112.183 -2.28 . . . . 10.0 111.498 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.93 92.5 3.55 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.401 -2.181 . . . . 10.0 111.728 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.526 HD12 ' CE3' ' A' ' 8' ' ' TRP . 1.4 mp -95.51 135.05 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-N 111.534 -2.575 . . . . 10.0 109.744 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.8 101.08 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 O-C-N 128.168 3.418 . . . . 10.0 113.147 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -96.97 116.85 29.93 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 122.033 0.92 . . . . 10.0 112.549 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.14 -10.16 16.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 113.212 -1.813 . . . . 10.0 111.55 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.05 118.54 3.83 Favored Glycine 0 N--CA 1.446 -0.672 0 O-C-N 126.329 2.268 . . . . 10.0 109.08 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 60.22 27.83 17.37 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 127.5 2.53 . . . . 10.0 108.046 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -170.59 129.11 0.82 Allowed 'General case' 0 C--O 1.209 -1.04 0 O-C-N 127.392 2.932 . . . . 10.0 111.236 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -143.93 106.97 4.5 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 113.649 -1.614 . . . . 10.0 112.954 179.646 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.36 110.72 20.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 123.617 1.675 . . . . 10.0 109.746 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mt -101.78 111.04 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 CA-C-O 124.527 2.108 . . . . 10.0 108.603 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -110.39 119.4 39.07 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-N 112.961 -1.927 . . . . 10.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -107.2 121.48 44.62 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 111.573 -2.558 . . . . 10.0 108.67 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.8 mt -112.23 64.38 0.63 Allowed 'General case' 0 C--O 1.211 -0.957 0 CA-C-O 123.484 1.612 . . . . 10.0 114.458 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.3 p -68.16 -18.11 64.52 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 113.347 -1.751 . . . . 10.0 110.401 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m 63.62 19.42 11.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.699 -1.137 . . . . 10.0 109.525 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 32' ' ' ILE . 3.0 t80 -120.23 1.81 10.82 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 126.902 2.626 . . . . 10.0 113.328 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 170.67 -32.27 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.167 0 O-C-N 126.974 2.672 . . . . 10.0 113.026 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m120 71.63 99.88 0.07 Allowed 'General case' 0 CA--C 1.495 -1.154 2 O-C-N 131.208 5.317 . . . . 10.0 114.464 176.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -115.39 141.29 48.24 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 118.795 -1.162 . . . . 10.0 110.185 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mp -144.19 152.62 15.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 114.389 -1.278 . . . . 10.0 112.494 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.455 ' HE1' ' C14' ' A' ' 135' ' ' RTL . 2.1 mtm -153.57 158.4 41.15 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.456 2.973 . . . . 10.0 110.213 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.87 39.1 2.09 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 111.707 -2.497 . . . . 10.0 113.456 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -27.34 110.33 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 128.702 3.751 . . . . 10.0 114.245 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.64 136.05 54.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.98 1.847 . . . . 10.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.78 131.51 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.136 0 CA-C-N 110.231 -3.168 . . . . 10.0 113.424 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.45 29.36 60.53 Favored Glycine 0 C--O 1.209 -1.447 0 CA-C-N 114.857 -1.065 . . . . 10.0 113.933 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -93.69 -45.68 7.59 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.754 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 78.52 106.17 0.07 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 127.424 2.953 . . . . 10.0 109.5 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 18.6 p90 -141.82 172.56 12.52 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 112.031 -2.349 . . . . 10.0 113.608 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -91.78 132.05 36.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 124.217 1.961 . . . . 10.0 110.506 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -106.3 80.06 1.45 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 112.051 -2.34 . . . . 10.0 111.068 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.89 113.52 2.83 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 123.234 1.492 . . . . 10.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 tp -102.31 61.47 0.85 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 124.67 2.176 . . . . 10.0 111.775 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 143.35 30.09 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 110.513 -3.04 . . . . 10.0 109.001 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.11 -3.47 64.41 Favored Glycine 0 C--O 1.209 -1.439 0 O-C-N 126.836 2.585 . . . . 10.0 108.741 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.25 -67.29 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 112.059 -2.071 . . . . 10.0 108.786 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -140.55 9.42 2.23 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 113.577 -1.647 . . . . 10.0 114.735 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 45.08 75.75 0.1 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 124.455 2.074 . . . . 10.0 111.345 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -152.43 128.71 10.54 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 112.658 -2.065 . . . . 10.0 108.729 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -102.51 131.9 48.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 126.218 2.199 . . . . 10.0 108.721 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.6 m -143.01 134.16 25.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 127.415 2.947 . . . . 10.0 114.938 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.42 ' HB2' ' CB ' ' A' ' 98' ' ' LYS . 19.9 mtt -69.09 159.33 33.09 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 112.677 -2.056 . . . . 10.0 108.769 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 159.57 42.57 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 127.442 2.964 . . . . 10.0 114.076 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.05 158.4 36.4 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.31 -1.768 . . . . 10.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -140.24 116.36 8.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.087 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.2 m -126.96 101.85 6.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 112.216 -2.266 . . . . 10.0 111.896 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 165.58 22.02 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 126.197 2.186 . . . . 10.0 112.233 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.86 -51.48 2.36 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 108.896 -3.774 . . . . 10.0 109.727 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.76 -92.51 0.08 OUTLIER Glycine 0 C--O 1.209 -1.432 0 CA-C-N 111.859 -2.428 . . . . 10.0 113.702 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -44.29 96.9 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 123.65 1.691 . . . . 10.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 176.32 5.86 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 112.821 -1.991 . . . . 10.0 111.245 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.2 122.18 7.07 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 110.778 -2.919 . . . . 10.0 108.461 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.41 167.97 15.49 Favored 'General case' 0 CA--C 1.495 -1.157 0 O-C-N 128.849 3.843 . . . . 10.0 110.658 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.53 176.65 8.43 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.542 -2.572 . . . . 10.0 111.436 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.3 t -151.98 139.59 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 O-C-N 127.744 3.153 . . . . 10.0 109.002 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 104' ' ' ARG . 71.3 mt-30 -107.2 126.52 52.51 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 111.873 -2.421 . . . . 10.0 108.705 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.42 ' CB ' ' HB2' ' A' ' 83' ' ' MET . 46.7 mttt -104.97 81.55 1.75 Allowed 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 111.387 -2.642 . . . . 10.0 112.139 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.24 -103.87 1.94 Allowed Glycine 0 C--N 1.348 1.202 0 CA-C-N 110.26 -3.155 . . . . 10.0 113.874 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -161.03 -45.11 0.04 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 111.514 -2.343 . . . . 10.0 114.979 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -98.68 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 124.226 0.954 . . . . 10.0 111.474 179.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -178.18 166.85 1.96 Allowed 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 122.979 1.371 . . . . 10.0 112.593 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.13 38.51 67.0 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 109.563 -3.472 . . . . 10.0 114.567 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' CB ' ' HB2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -95.98 153.89 17.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.414 ' HA2' ' HG3' ' A' ' 97' ' ' GLN . . . 109.26 165.49 20.31 Favored Glycine 0 CA--C 1.493 -1.291 0 O-C-N 127.372 2.92 . . . . 10.0 109.536 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.62 2.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 123.593 1.663 . . . . 10.0 111.722 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 38.1 m -158.37 135.1 9.64 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.244 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -110.82 144.76 39.32 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 113.811 -1.54 . . . . 10.0 108.213 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -158.74 95.8 1.33 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.022 -2.353 . . . . 10.0 112.983 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.431 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 6.4 mt -62.69 132.76 28.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 128.42 3.575 . . . . 10.0 113.197 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -141.12 81.56 1.79 Allowed 'General case' 0 C--O 1.219 -0.538 0 O-C-N 126.516 2.385 . . . . 10.0 114.085 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.18 -122.59 9.87 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 113.626 -1.625 . . . . 10.0 110.208 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.88 21.43 10.59 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 123.084 1.421 . . . . 10.0 112.376 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.52 123.05 11.08 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 113.348 -1.751 . . . . 10.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 2.3 tm? -92.67 133.76 35.69 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -98.37 107.83 20.39 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 128.081 3.363 . . . . 10.0 111.947 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 128' ' ' GLN . 17.7 tp -112.46 134.32 54.05 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 112.245 -2.252 . . . . 10.0 114.524 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.45 106.08 6.88 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 113.772 -1.558 . . . . 10.0 110.322 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 mtt -107.39 124.24 49.54 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 112.771 -2.013 . . . . 10.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -112.13 162.65 15.2 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 125.415 1.697 . . . . 10.0 108.834 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 179.82 116.49 0.05 Allowed 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 125.618 1.824 . . . . 10.0 114.373 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.29 23.38 5.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 127.645 3.091 . . . . 10.0 114.215 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.43 8.64 59.67 Favored Glycine 0 CA--C 1.501 -0.816 0 CA-C-O 123.092 1.384 . . . . 10.0 112.667 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.32 133.64 66.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-O 122.64 1.21 . . . . 10.0 108.442 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.422 HG23 ' HE3' ' A' ' 127' ' ' LYS . 95.4 m -99.56 124.56 44.87 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 113.752 -1.567 . . . . 10.0 113.55 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.65 136.3 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 128.182 3.426 . . . . 10.0 108.717 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.422 ' HE3' HG23 ' A' ' 125' ' ' THR . 0.9 OUTLIER -133.94 143.73 48.39 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-O 123.011 1.386 . . . . 10.0 112.806 179.794 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 117' ' ' LEU . 11.6 mp0 -127.8 145.25 50.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.408 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.02 62.71 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.096 0 O-C-N 127.234 2.834 . . . . 10.0 114.047 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -55.65 139.93 42.99 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.759 -2.473 . . . . 10.0 111.371 -179.482 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' HG3' ' HB3' ' A' ' 10' ' ' MET 0.27 1.6 mmpt? -104.06 122.35 45.1 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 109.466 -3.516 . . . . 10.0 112.841 -179.833 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -81.49 113.64 19.68 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 128.14 3.4 . . . . 10.0 110.109 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 22.2 t -84.01 -51.13 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 111.632 -2.531 . . . . 10.0 112.351 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--O 1.259 1.572 0 O-C-N 124.765 1.291 . . . . 10.0 113.18 179.98 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.497 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo . . . . . 0 N--CA 1.502 1.998 0 N-CA-C 111.469 -0.243 . . . . 10.0 111.469 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.452 ' CG1' HD13 ' A' ' 110' ' ' ILE . 4.1 t -74.63 145.88 10.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.124 0 CA-C-O 123.223 1.487 . . . . 10.0 113.778 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 4.8 p-10 -106.3 104.15 13.78 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 110.023 -3.262 . . . . 10.0 108.407 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -76.17 -55.1 5.89 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 126.844 2.59 . . . . 10.0 108.778 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 47.0 t-20 -45.62 144.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.807 0 O-C-N 127.703 3.127 . . . . 10.0 113.151 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.514 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 138.0 -108.71 0.64 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 111.75 -2.477 . . . . 10.0 115.08 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.509 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -157.62 128.51 6.56 Favored 'General case' 0 C--O 1.209 -1.063 0 C-N-CA 116.244 -2.183 . . . . 10.0 112.896 -179.285 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.635 ' CD2' ' N ' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -127.45 105.28 8.4 Favored 'General case' 0 CA--C 1.502 -0.879 1 O-C-N 130.69 4.994 . . . . 10.0 113.704 -177.667 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -114.53 139.75 49.32 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 118.383 -1.327 . . . . 10.0 107.745 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttm -73.0 139.98 47.02 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.302 2.251 . . . . 10.0 111.981 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -112.63 -43.51 3.46 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 113.372 -1.74 . . . . 10.0 114.558 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -147.58 164.62 32.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 125.889 1.993 . . . . 10.0 113.571 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -125.44 121.13 32.92 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 128.115 3.384 . . . . 10.0 110.334 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -121.86 126.7 49.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.213 -1.812 . . . . 10.0 109.497 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 58.63 30.25 19.63 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 111.429 -2.623 . . . . 10.0 112.997 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CE2' HD13 ' A' ' 20' ' ' LEU . 32.0 t80 -76.9 -26.22 53.91 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 112.415 -2.175 . . . . 10.0 113.231 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.74 -35.75 38.33 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 112.305 -2.225 . . . . 10.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.16 -31.26 60.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.977 -1.465 . . . . 10.0 113.005 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -75.18 -29.44 60.38 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 110.923 -2.853 . . . . 10.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD13 ' CE2' ' A' ' 16' ' ' PHE . 11.8 mt -73.23 -27.23 61.48 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.308 -2.678 . . . . 10.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -22.26 57.65 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 110.524 -3.034 . . . . 10.0 109.832 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.68 -25.57 67.39 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.914 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.53 5.97 23.64 Favored 'General case' 0 CA--C 1.494 -1.199 0 O-C-N 126.927 2.642 . . . . 10.0 112.562 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.53 42.38 27.38 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 123.381 1.563 . . . . 10.0 114.783 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.37 128.76 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 111.286 -2.688 . . . . 10.0 112.069 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -47.42 154.37 0.43 Allowed 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.785 3.178 . . . . 10.0 113.364 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 t -66.9 -28.98 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.016 0 O-C-N 126.814 2.571 . . . . 10.0 115.356 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.48 -34.92 65.58 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 124.334 2.016 . . . . 10.0 113.779 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.0 -33.74 44.68 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 112.139 -2.3 . . . . 10.0 114.769 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -22.2 59.86 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.85 1.786 . . . . 10.0 111.988 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -75.67 -48.06 23.64 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 109.684 -3.416 . . . . 10.0 110.043 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.497 HG22 ' CE2' ' A' ' 57' ' ' PHE . 9.6 mt -65.77 -37.81 80.79 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 125.481 1.738 . . . . 10.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.5 -20.14 60.75 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 125.924 2.015 . . . . 10.0 113.82 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -65.44 -29.65 70.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 111.179 -2.737 . . . . 10.0 113.8 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.74 8.4 22.49 Favored 'General case' 0 C--O 1.209 -1.075 0 O-C-N 126.261 2.225 . . . . 10.0 111.265 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.02 130.75 48.66 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-N 111.203 -2.726 . . . . 10.0 113.441 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.29 79.32 37.05 Favored Pre-proline 0 CA--C 1.501 -0.915 0 CA-C-O 124.167 1.937 . . . . 10.0 109.32 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.484 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 5.2 Cg_endo -66.05 134.4 36.79 Favored 'Trans proline' 0 C--O 1.211 -0.861 0 CA-C-N 110.932 -2.203 . . . . 10.0 113.362 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.14 135.13 33.99 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 109.298 -3.592 . . . . 10.0 107.279 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -89.98 175.12 7.31 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 125.894 1.996 . . . . 10.0 114.053 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.594 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mt-10 -151.29 95.03 2.1 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 128.667 3.729 . . . . 10.0 112.935 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' A' ' 8' ' ' TRP . 3.5 mp -86.46 153.43 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.035 0 CA-C-O 124.189 1.947 . . . . 10.0 109.058 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 80.1 t -139.74 84.76 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 CA-C-O 125.322 2.487 . . . . 10.0 111.267 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -74.07 111.66 9.45 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 111.799 -2.455 . . . . 10.0 112.832 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -141.29 74.39 1.46 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 111.539 -2.573 . . . . 10.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.78 -145.45 21.74 Favored Glycine 0 C--O 1.209 -1.457 0 CA-C-N 110.89 -2.868 . . . . 10.0 114.36 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -42.31 -42.63 3.2 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 111.261 -2.47 . . . . 10.0 113.972 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -103.61 171.61 7.26 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 125.196 2.427 . . . . 10.0 114.4 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.8 ttp -143.55 141.92 30.89 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 110.437 -3.074 . . . . 10.0 108.49 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.7 mt -129.83 120.08 49.09 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.015 0 O-C-N 127.147 2.779 . . . . 10.0 111.922 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -100.19 120.29 49.43 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 1 O-C-N 129.837 4.461 . . . . 10.0 112.182 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -111.27 133.33 53.68 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 128.067 3.354 . . . . 10.0 109.466 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 m -112.86 109.03 18.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 111.866 -2.425 . . . . 10.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -100.77 93.69 5.69 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 126.522 2.389 . . . . 10.0 109.574 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -116.17 -8.28 11.77 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 113.912 -1.495 . . . . 10.0 113.827 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 79.07 -62.48 0.31 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 128.211 3.444 . . . . 10.0 108.465 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CE2' HG22 ' A' ' 32' ' ' ILE . 4.2 m-85 -45.54 -39.91 8.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 127.035 2.709 . . . . 10.0 107.894 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -165.69 150.22 8.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 110.154 -3.203 . . . . 10.0 113.2 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -106.22 124.05 48.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.284 -2.235 . . . . 10.0 111.92 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -128.45 120.37 26.75 Favored 'General case' 0 C--O 1.209 -1.047 0 O-C-N 125.372 1.67 . . . . 10.0 113.613 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.49 151.38 15.35 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 O-C-N 126.281 2.238 . . . . 10.0 112.856 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.1 mtp -148.53 116.76 6.47 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 126.407 2.317 . . . . 10.0 108.28 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.27 96.71 10.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 111.672 -2.513 . . . . 10.0 109.212 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -99.3 103.02 14.82 Favored 'General case' 0 CA--C 1.502 -0.873 0 O-C-N 126.674 2.484 . . . . 10.0 113.655 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -99.84 91.31 4.77 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 126.949 2.656 . . . . 10.0 107.937 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -40.42 107.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 CA-C-N 111.917 -2.402 . . . . 10.0 114.301 -179.731 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 4.92 28.55 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 111.293 -2.685 . . . . 10.0 113.457 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.93 141.07 52.14 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.062 -2.069 . . . . 10.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -97.73 119.41 36.26 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 124.897 2.284 . . . . 10.0 110.579 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.41 156.57 35.2 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 110.939 -2.846 . . . . 10.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.16 108.12 19.55 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 110.314 -3.13 . . . . 10.0 110.681 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.4 mt-10 -83.55 113.41 20.8 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 113.314 -1.767 . . . . 10.0 114.154 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.56 116.71 32.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.182 2.176 . . . . 10.0 109.597 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 14.7 mt -102.28 54.55 0.79 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.365 -2.198 . . . . 10.0 114.328 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -76.57 -12.03 59.96 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 126.882 2.614 . . . . 10.0 112.305 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.71 14.77 56.18 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 110.492 -3.049 . . . . 10.0 108.978 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 74' ' ' LEU . 70.4 mt -133.93 -66.45 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.029 0 O-C-N 126.515 1.95 . . . . 10.0 109.655 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -165.16 53.69 0.11 Allowed 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.805 -1.089 . . . . 10.0 109.824 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 47.8 p30 11.91 75.08 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.928 1 O-C-N 130.01 4.569 . . . . 10.0 114.78 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.71 120.03 28.42 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 110.053 -3.249 . . . . 10.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.38 125.06 50.73 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.934 2.646 . . . . 10.0 113.581 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -144.77 171.36 14.53 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 110.685 -2.961 . . . . 10.0 108.75 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.8 mtt -102.36 126.74 49.47 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 123.981 0.8 . . . . 10.0 110.147 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.7 m -119.85 141.87 49.16 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 112.776 -2.011 . . . . 10.0 113.819 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -125.74 163.23 23.3 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.374 -1.284 . . . . 10.0 110.525 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.8 t -138.84 135.49 42.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-O 125.145 2.403 . . . . 10.0 114.307 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -124.93 154.52 41.02 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 109.93 -3.304 . . . . 10.0 111.045 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -121.21 107.92 13.15 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 126.853 2.596 . . . . 10.0 107.993 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.93 -13.99 16.7 Favored 'General case' 0 C--O 1.212 -0.918 0 O-C-N 126.928 2.643 . . . . 10.0 113.253 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.68 -133.11 3.94 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 124.525 1.141 . . . . 10.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -56.65 -43.91 80.78 Favored 'General case' 0 CA--C 1.494 -1.173 0 CA-C-O 126.104 2.859 . . . . 10.0 110.406 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -90.95 128.01 36.62 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 110.908 -2.86 . . . . 10.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.1 127.97 55.73 Favored 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.956 3.285 . . . . 10.0 109.617 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -137.85 158.2 44.85 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.498 1.124 . . . . 10.0 108.545 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 171.77 9.89 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 112.476 -2.147 . . . . 10.0 112.676 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.99 123.26 10.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 127.517 3.011 . . . . 10.0 108.332 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.8 119.81 32.74 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 127.548 3.03 . . . . 10.0 113.488 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -67.77 -174.59 0.46 Allowed 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.06 -2.336 . . . . 10.0 111.495 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 156.44 -145.85 12.9 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 112.893 -1.958 . . . . 10.0 113.31 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.99 28.92 2.3 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 127.513 2.537 . . . . 10.0 114.747 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -131.47 -144.55 0.25 Allowed 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 111.542 -2.572 . . . . 10.0 108.84 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -133.63 142.65 48.18 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 124.615 2.15 . . . . 10.0 111.792 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.76 -85.11 0.69 Allowed Glycine 0 C--O 1.212 -1.251 0 CA-C-N 113.314 -1.767 . . . . 10.0 112.841 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 27.02 89.91 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 O-C-N 129.977 3.986 . . . . 10.0 113.619 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 149.45 8.01 Favored Glycine 0 N--CA 1.465 0.616 0 O-C-N 125.643 1.839 . . . . 10.0 109.033 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.8 149.33 50.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.064 1.345 . . . . 10.0 114.105 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -138.97 137.51 36.45 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 126.141 2.15 . . . . 10.0 109.252 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.426 ' HG3' ' CD1' ' A' ' 117' ' ' LEU . 28.0 mt-30 -120.93 148.17 44.43 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 126.445 3.022 . . . . 10.0 112.801 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -166.05 99.12 0.64 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 112.697 -2.047 . . . . 10.0 112.481 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.452 HD13 ' CG1' ' A' ' 2' ' ' VAL . 9.4 mt -63.81 135.67 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 127.043 2.715 . . . . 10.0 109.605 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.75 -59.12 1.8 Allowed 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.471 1.732 . . . . 10.0 113.411 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.45 -76.01 0.02 OUTLIER Glycine 0 N--CA 1.463 0.439 0 CA-C-N 111.895 -2.412 . . . . 10.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.44 19.74 14.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 124.86 2.267 . . . . 10.0 108.75 -179.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -133.62 144.98 49.59 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.623 -1.626 . . . . 10.0 109.784 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.98 47.92 0.87 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 128.016 3.322 . . . . 10.0 112.189 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -23.55 124.41 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.885 3.866 . . . . 10.0 114.137 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 13.2 tp -141.67 143.35 33.55 Favored 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 125.699 1.875 . . . . 10.0 113.941 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -134.16 111.88 10.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 110.108 -3.224 . . . . 10.0 113.636 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.41 ' HB2' ' HB3' ' A' ' 126' ' ' CYS . 4.0 mtm -109.89 137.83 47.11 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 124.576 1.172 . . . . 10.0 109.69 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 128.44 32.14 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 112.638 -2.073 . . . . 10.0 112.239 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.36 136.7 8.72 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 125.236 1.585 . . . . 10.0 113.656 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.64 20.4 10.33 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.88 -1.963 . . . . 10.0 113.771 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.05 21.3 65.73 Favored Glycine 0 C--O 1.211 -1.314 0 CA-C-N 112.261 -2.245 . . . . 10.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.2 t -113.34 111.66 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.849 -0.797 . . . . 10.0 108.849 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.1 m -87.33 118.59 26.87 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 128.062 3.351 . . . . 10.0 109.527 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 119' ' ' MET . 12.3 t -116.15 149.65 38.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 124.624 2.154 . . . . 10.0 110.034 179.818 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -143.39 139.74 30.13 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 111.426 -2.625 . . . . 10.0 112.777 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -133.54 128.02 34.39 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.821 -1.082 . . . . 10.0 111.656 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.71 100.25 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 O-C-N 127.334 2.896 . . . . 10.0 114.588 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -84.52 175.6 9.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 127.092 2.745 . . . . 10.0 108.657 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 2.1 tptm -146.38 113.02 5.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 125.864 1.977 . . . . 10.0 114.192 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 113.73 15.73 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 112.447 -2.16 . . . . 10.0 111.424 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.81 -11.72 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 O-C-N 126.141 2.15 . . . . 10.0 113.455 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--O 1.249 1.078 0 O-C-N 127.083 2.739 . . . . 10.0 110.535 -179.984 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.556 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.514 2.689 0 N-CA-C 110.437 -0.64 . . . . 10.0 110.437 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 31.0 82.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.25 0 O-C-N 129.032 3.957 . . . . 10.0 112.042 -179.689 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.83 124.93 22.11 Favored 'General case' 0 C--N 1.343 0.295 0 O-C-N 127.518 3.011 . . . . 10.0 113.888 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 110' ' ' ILE . 16.9 m-30 -98.63 -9.34 24.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 126.621 2.45 . . . . 10.0 112.685 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -60.59 164.31 4.67 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 126.392 2.308 . . . . 10.0 112.711 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.95 -164.74 12.14 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 107.555 -2.218 . . . . 10.0 107.555 -179.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 41' ' ' GLU . 2.4 m-85 -115.49 159.79 20.74 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 110.717 -2.741 . . . . 10.0 110.092 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.6 ' CA ' ' HG2' ' A' ' 132' ' ' LYS . 22.1 m95 -141.2 99.5 3.59 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 110.192 -3.186 . . . . 10.0 113.822 179.129 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -98.49 144.25 28.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 116.905 -1.918 . . . . 10.0 108.006 178.82 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.475 ' HA ' ' CD2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.36 176.69 0.33 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 124.667 2.175 . . . . 10.0 113.863 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.29 -58.87 0.45 Allowed 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 110.056 -3.247 . . . . 10.0 110.461 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.33 163.47 3.76 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 112.014 -2.357 . . . . 10.0 111.7 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -112.03 -177.18 3.11 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 123.592 1.663 . . . . 10.0 113.961 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -175.83 106.16 0.08 Allowed 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 114.403 -1.271 . . . . 10.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t30 77.62 25.05 0.73 Allowed 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.916 -1.947 . . . . 10.0 110.105 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -68.18 -39.22 82.58 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 114.073 -1.421 . . . . 10.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -44.92 73.53 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 112.029 -2.35 . . . . 10.0 113.987 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -20.5 63.88 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 126.28 2.238 . . . . 10.0 114.352 -179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.95 -38.23 57.77 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.606 2.146 . . . . 10.0 111.365 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HB3' HG12 ' A' ' 25' ' ' VAL . 7.9 mt -66.11 -36.94 84.49 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 110.943 -2.844 . . . . 10.0 114.248 -179.776 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -21.82 66.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.86 1.43 . . . . 10.0 114.86 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.14 -22.77 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 126.379 2.299 . . . . 10.0 113.067 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 ' HD3' ' A' ' 80' ' ' ARG . 24.0 mt -103.83 3.35 33.8 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 126.7 2.5 . . . . 10.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 64.82 29.02 12.78 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 127.861 3.226 . . . . 10.0 112.699 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 HG12 ' HB3' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -51.97 147.59 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.348 2.905 . . . . 10.0 112.508 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.47 157.18 24.06 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 121.742 0.782 . . . . 10.0 112.422 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.33 -38.57 82.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 124.918 1.287 . . . . 10.0 112.637 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.01 97.77 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 123.528 1.632 . . . . 10.0 114.852 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -24.73 62.26 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-N 111.119 -2.764 . . . . 10.0 111.977 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -79.96 -30.45 39.84 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 114.709 -1.132 . . . . 10.0 111.863 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -78.71 -34.3 46.09 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 127.657 3.098 . . . . 10.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -74.54 -31.75 28.28 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.158 0 CA-C-N 114.711 -1.131 . . . . 10.0 109.477 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.11 60.67 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 124.083 1.897 . . . . 10.0 113.299 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.72 -34.7 78.42 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 110.305 -3.134 . . . . 10.0 113.664 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -94.82 0.08 54.56 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 113.255 -1.793 . . . . 10.0 112.176 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.66 126.11 55.02 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 113.848 -1.524 . . . . 10.0 112.663 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -133.18 65.55 73.43 Favored Pre-proline 0 C--O 1.219 -0.539 0 CA-C-N 113.369 -1.741 . . . . 10.0 108.564 -179.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.08 164.2 17.62 Favored 'Trans proline' 0 CA--C 1.501 -1.139 0 C-N-CA 122.913 2.409 . . . . 10.0 114.007 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.17 126.37 53.57 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 126.434 2.334 . . . . 10.0 109.948 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.47 141.5 28.69 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 124.881 2.277 . . . . 10.0 111.306 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 12.1 tt0 -130.96 120.44 23.54 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.697 -2.501 . . . . 10.0 109.243 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 8' ' ' TRP . 14.2 mt -113.86 139.98 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.751 -2.477 . . . . 10.0 111.83 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 t -127.68 115.61 40.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 113.501 -1.681 . . . . 10.0 109.409 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -99.81 120.72 40.2 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -115.67 10.27 15.45 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 126.351 2.977 . . . . 10.0 111.477 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.62 -109.56 2.4 Favored Glycine 0 C--O 1.214 -1.146 0 CA-C-N 112.2 -2.273 . . . . 10.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -59.02 -42.06 89.26 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.868 -1.166 . . . . 10.0 109.392 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -86.7 158.61 19.39 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 126.52 2.388 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.5 ttm -166.69 130.7 2.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.444 2.965 . . . . 10.0 110.569 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.1 tt -113.59 151.18 15.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 113.107 -1.86 . . . . 10.0 109.676 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 119.33 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.804 0 CA-C-N 110.088 -3.233 . . . . 10.0 110.176 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -99.87 176.18 5.53 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 124.42 1.075 . . . . 10.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -163.67 83.28 0.46 Allowed 'General case' 0 C--O 1.209 -1.071 0 O-C-N 128.327 3.517 . . . . 10.0 108.395 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -79.13 89.27 4.83 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 109.191 -3.641 . . . . 10.0 114.158 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 p -121.35 126.09 48.6 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 111.974 -2.375 . . . . 10.0 108.831 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.99 79.75 0.65 Allowed 'General case' 0 C--O 1.22 -0.493 0 O-C-N 125.233 1.583 . . . . 10.0 109.647 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.534 ' CE2' ' CB ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 173.27 -39.46 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 127.862 3.227 . . . . 10.0 111.201 -179.774 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' PHE . 29.8 ttm-85 -164.72 90.62 0.54 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 126.365 2.291 . . . . 10.0 114.098 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -64.53 124.88 22.98 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.332 -2.667 . . . . 10.0 107.155 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -91.94 -74.29 0.52 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 124.664 2.173 . . . . 10.0 115.268 -178.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 55.82 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.405 1 CA-C-N 108.38 -4.009 . . . . 10.0 112.987 -175.043 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.0 ptm 176.37 136.57 0.06 Allowed 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.793 -2.458 . . . . 10.0 111.861 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.47 117.53 30.03 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 112.521 -2.127 . . . . 10.0 114.754 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.65 176.97 5.45 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 123.633 1.682 . . . . 10.0 109.858 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -155.28 133.22 11.45 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 112.023 -2.353 . . . . 10.0 109.324 179.735 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.91 128.37 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-O 124.822 2.249 . . . . 10.0 109.642 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.22 -28.5 4.19 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.441 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 6.9 mtmt -80.68 161.39 24.65 Favored 'General case' 0 C--O 1.208 -1.121 0 N-CA-C 113.94 1.089 . . . . 10.0 113.94 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -120.94 116.78 25.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 127.629 3.08 . . . . 10.0 110.109 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 17.7 p90 -136.44 150.56 48.79 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.446 2.341 . . . . 10.0 114.35 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -65.69 148.95 50.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 112.138 -2.301 . . . . 10.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -129.15 158.57 38.61 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 126.839 2.587 . . . . 10.0 112.654 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.78 21.75 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.443 -2.162 . . . . 10.0 110.75 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.406 ' CB ' ' HG2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -109.45 55.87 0.63 Allowed 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.588 2.43 . . . . 10.0 112.442 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 t -99.0 127.24 44.88 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 124.127 1.918 . . . . 10.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.25 -13.94 8.34 Favored Glycine 0 C--O 1.21 -1.383 0 CA-C-N 111.419 -2.628 . . . . 10.0 108.966 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 mt -113.46 -61.13 2.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 110.785 -2.707 . . . . 10.0 110.688 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -166.2 29.01 0.04 OUTLIER 'General case' 0 C--N 1.345 0.37 0 C-N-CA 117.939 -1.504 . . . . 10.0 113.463 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 22.91 86.52 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.433 0 O-C-N 127.66 3.1 . . . . 10.0 114.338 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HG2' ' CB ' ' A' ' 74' ' ' LEU . 17.5 ptt85 -140.68 52.93 1.61 Allowed 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 114.529 -1.214 . . . . 10.0 112.071 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -48.56 120.64 3.86 Favored 'General case' 0 CA--C 1.518 -0.273 0 O-C-N 128.097 3.373 . . . . 10.0 111.582 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.56 -178.14 5.04 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 113.16 -1.837 . . . . 10.0 108.682 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtt -102.89 141.04 36.37 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 112.183 -2.28 . . . . 10.0 107.863 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.6 m -130.63 147.62 52.33 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 125.964 2.04 . . . . 10.0 111.683 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 m -145.34 140.93 28.07 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.947 -1.933 . . . . 10.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.48 130.84 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 CA-C-O 126.962 3.268 . . . . 10.0 112.057 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.93 -175.65 4.04 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 111.209 -2.723 . . . . 10.0 109.433 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 136.39 44.55 Favored 'General case' 0 CA--C 1.505 -0.779 0 O-C-N 126.879 2.612 . . . . 10.0 112.27 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -19.95 33.26 Favored 'General case' 0 CA--C 1.5 -0.981 0 CA-C-N 112.311 -2.222 . . . . 10.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.35 -70.43 0.46 Allowed Glycine 0 N--CA 1.47 0.962 0 CA-C-N 112.372 -2.195 . . . . 10.0 111.113 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -95.36 -54.34 3.44 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 112.51 -1.845 . . . . 10.0 108.567 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -89.29 153.45 20.88 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 126.646 2.466 . . . . 10.0 111.048 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.48 127.19 52.87 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 110.681 -2.963 . . . . 10.0 110.055 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 129.1 51.89 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 125.81 1.944 . . . . 10.0 111.691 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 t -111.58 102.57 10.89 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.371 3.544 . . . . 10.0 113.103 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 p -100.2 153.99 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 O-C-N 125.537 1.773 . . . . 10.0 112.919 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -119.03 164.74 15.04 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 114.127 -1.397 . . . . 10.0 109.056 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.57 44.05 1.13 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.58 146.3 18.83 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 118.487 -1.816 . . . . 10.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.16 -32.77 49.47 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 124.478 2.085 . . . . 10.0 110.121 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -63.37 160.51 15.91 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 110.525 -3.034 . . . . 10.0 111.713 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.54 146.41 40.51 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 113.347 -1.751 . . . . 10.0 113.653 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.47 -94.5 0.09 OUTLIER Glycine 0 C--N 1.348 1.196 0 CA-C-N 111.809 -2.451 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.59 25.12 4.62 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.56 -1.82 . . . . 10.0 111.086 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.35 141.11 13.09 Favored Glycine 0 N--CA 1.465 0.57 0 CA-C-O 124.923 2.402 . . . . 10.0 112.161 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -100.04 178.76 4.7 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.45 -2.375 . . . . 10.0 112.839 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.6 m -163.91 118.9 1.55 Allowed 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.393 -1.73 . . . . 10.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 162.45 18.58 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 125.703 2.668 . . . . 10.0 109.391 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -148.08 -53.01 0.19 Allowed 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.538 -3.028 . . . . 10.0 114.337 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 4' ' ' PHE . 3.3 mt 73.91 145.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 125.987 2.055 . . . . 10.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -155.26 80.07 1.05 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 123.762 1.744 . . . . 10.0 109.186 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.91 -112.09 3.82 Favored Glycine 0 N--CA 1.474 1.189 0 N-CA-C 107.379 -2.288 . . . . 10.0 107.379 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.4 14.0 14.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 123.185 1.469 . . . . 10.0 113.275 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -110.92 108.44 18.22 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.144 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.496 HD13 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -79.2 110.55 14.56 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.162 1.934 . . . . 10.0 111.788 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -98.35 91.37 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 110.816 -2.902 . . . . 10.0 109.846 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 118' ' ' GLU . 4.8 tp -112.56 131.39 55.63 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 127.191 2.807 . . . . 10.0 112.573 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' N ' HD11 ' A' ' 117' ' ' LEU . 97.8 mt-10 -119.79 110.42 16.76 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 112.881 -1.963 . . . . 10.0 107.879 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 21.3 mtp -103.33 163.57 12.18 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 113.607 -1.633 . . . . 10.0 114.267 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -150.23 152.62 34.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 111.024 -2.807 . . . . 10.0 108.968 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 179.27 114.72 0.04 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 113.254 -1.794 . . . . 10.0 112.307 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.8 3.75 4.25 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 128.127 3.392 . . . . 10.0 113.088 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 104.94 17.7 13.8 Favored Glycine 0 N--CA 1.467 0.765 0 O-C-N 126.723 2.515 . . . . 10.0 111.307 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.69 119.82 58.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 CA-C-O 124.967 2.318 . . . . 10.0 109.961 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.7 m -91.55 126.6 36.69 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 125.121 2.391 . . . . 10.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.35 144.52 40.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 112.846 -1.979 . . . . 10.0 110.821 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -131.19 148.7 52.74 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 124.084 1.897 . . . . 10.0 110.692 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -124.22 136.95 54.54 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 112.6 -2.091 . . . . 10.0 108.888 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.1 t -117.35 127.44 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.023 0 CA-C-O 125.14 2.4 . . . . 10.0 113.538 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 10' ' ' MET . 66.8 m-85 -118.19 152.91 34.77 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.735 -2.029 . . . . 10.0 109.167 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -155.12 86.46 1.1 Allowed 'General case' 0 C--O 1.207 -1.161 0 O-C-N 125.46 1.725 . . . . 10.0 107.129 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.6 ' HG2' ' CA ' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -68.62 -147.37 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 O-C-N 129.805 4.441 . . . . 10.0 115.412 -178.772 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.523 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 1.0 OUTLIER -150.09 -49.08 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.128 0 CA-C-N 115.239 -0.891 . . . . 10.0 113.01 -175.067 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 134' ' ' HIS . 12.7 m-70 . . . . . 0 C--O 1.257 1.477 0 CA-C-O 118.001 -1.0 . . . . 10.0 111.968 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.518 H162 ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 N--CA 1.513 2.628 0 CA-C-O 123.861 1.525 . . . . 10.0 110.356 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.7 t -148.52 -50.72 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 CA-C-N 112.12 -2.309 . . . . 10.0 112.921 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -29.97 118.17 0.15 Allowed 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 126.192 2.183 . . . . 10.0 113.965 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -89.89 -18.14 26.71 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 127.56 3.038 . . . . 10.0 110.174 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.91 151.78 11.08 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 125.629 1.83 . . . . 10.0 111.212 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.11 -165.86 16.88 Favored Glycine 0 C--O 1.214 -1.126 0 CA-C-N 113.392 -1.731 . . . . 10.0 109.785 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -116.35 134.1 55.26 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-N 113.752 -1.224 . . . . 10.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.3 m95 -132.29 113.2 12.94 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 125.298 1.624 . . . . 10.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -100.77 149.95 23.3 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 149.1 48.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.094 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.56 -56.53 2.33 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 124.978 2.323 . . . . 10.0 114.491 -179.473 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 p -141.88 178.63 7.37 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 110.965 -2.834 . . . . 10.0 109.195 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -132.28 158.64 41.32 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 111.32 -2.673 . . . . 10.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.39 109.58 1.13 Allowed 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 126.029 2.081 . . . . 10.0 113.358 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 23.95 3.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 126.997 2.685 . . . . 10.0 110.181 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -74.76 -40.57 61.15 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 112.876 -1.965 . . . . 10.0 111.962 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.22 -38.39 87.81 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.839 3.212 . . . . 10.0 113.571 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -28.43 62.39 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 179.65 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.49 -29.57 64.97 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.653 2.47 . . . . 10.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.0 mt -77.38 -33.69 55.14 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.726 1.891 . . . . 10.0 112.854 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -31.1 72.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.729 1.252 . . . . 10.0 113.721 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.0 89.91 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 109.994 -3.276 . . . . 10.0 113.376 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.2 1.08 54.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 113.332 -1.758 . . . . 10.0 110.475 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 56.21 65.48 1.42 Allowed 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 114.34 -1.3 . . . . 10.0 113.138 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.44 138.41 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 111.383 -2.644 . . . . 10.0 108.482 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -52.65 152.11 3.92 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 125.212 1.57 . . . . 10.0 113.936 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.66 -26.15 34.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-O 124.393 2.044 . . . . 10.0 113.559 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.34 60.47 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 110.219 -3.173 . . . . 10.0 110.178 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.421 HD21 ' H42' ' A' ' 135' ' ' RTL . 3.8 tt -75.88 -26.02 56.66 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 110.683 -2.962 . . . . 10.0 109.547 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -79.09 -25.35 43.07 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-N 114.568 -1.196 . . . . 10.0 111.487 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -75.49 -39.77 58.13 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.663 -2.062 . . . . 10.0 109.317 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.4 mt -73.91 -29.19 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-N 111.516 -2.584 . . . . 10.0 112.196 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.69 61.2 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 125.263 1.602 . . . . 10.0 112.158 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -22.98 66.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.309 1.596 . . . . 10.0 115.309 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.48 35.19 4.91 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 112.433 -2.167 . . . . 10.0 111.622 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD21 ' CB ' ' A' ' 57' ' ' PHE . 1.1 tp -124.2 117.24 24.15 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 110.669 -2.969 . . . . 10.0 109.723 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -141.21 67.11 25.86 Favored Pre-proline 0 CA--C 1.5 -0.968 0 O-C-N 127.583 3.052 . . . . 10.0 112.622 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -52.82 164.77 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.31 2.673 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.03 112.17 15.57 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 110.418 -3.083 . . . . 10.0 111.49 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.53 146.29 29.29 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 110.931 -2.85 . . . . 10.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -133.01 104.93 6.78 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 111.478 -2.601 . . . . 10.0 108.726 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.2 mm -91.24 142.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 127.441 2.963 . . . . 10.0 110.766 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.65 49.42 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 O-C-N 126.357 2.285 . . . . 10.0 111.185 -179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 103.77 0.07 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.858 -2.883 . . . . 10.0 114.148 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -115.61 74.31 0.88 Allowed 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 126.166 2.166 . . . . 10.0 113.573 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.37 -121.89 6.39 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 126.779 2.549 . . . . 10.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -26.04 56.83 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 125.799 2.714 . . . . 10.0 114.142 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.65 146.48 25.28 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.17 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.2 ptm -152.68 144.0 23.25 Favored 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.069 3.356 . . . . 10.0 108.409 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.6 mt -118.38 112.55 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-O 125.247 2.451 . . . . 10.0 114.537 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mt -94.86 90.67 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-N 110.424 -3.08 . . . . 10.0 110.479 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.13 167.09 14.79 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 112.502 -2.136 . . . . 10.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.3 m -159.87 86.2 0.77 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.133 1.521 . . . . 10.0 109.05 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.7 mt -90.06 112.52 24.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.025 2.078 . . . . 10.0 113.487 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -155.7 142.12 18.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 111.517 -2.583 . . . . 10.0 109.824 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -63.28 -17.21 62.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 111.175 -2.739 . . . . 10.0 113.877 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.4 ' CB ' HD21 ' A' ' 36' ' ' LEU . 19.6 t80 -81.08 -55.64 4.63 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.145 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -164.75 123.09 1.73 Allowed 'General case' 0 C--N 1.352 0.707 0 CA-C-N 112.595 -2.093 . . . . 10.0 114.792 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.23 171.65 13.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 116.798 -1.961 . . . . 10.0 107.204 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -133.33 -72.47 0.5 Allowed 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 125.311 2.481 . . . . 10.0 114.426 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp 63.6 143.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.489 1 CA-C-N 108.307 -4.042 . . . . 10.0 110.854 -176.027 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 mtt -129.11 -52.6 1.2 Allowed 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 113.106 -1.861 . . . . 10.0 115.294 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.13 61.56 0.74 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 114.711 -1.131 . . . . 10.0 108.603 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -69.37 166.62 18.24 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 112.366 -2.197 . . . . 10.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.48 101.7 2.03 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 125.214 1.571 . . . . 10.0 107.951 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -54.28 123.0 4.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 CA-C-N 113.779 -1.555 . . . . 10.0 112.215 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.42 19.56 41.2 Favored Glycine 0 C--O 1.207 -1.547 0 O-C-N 126.029 2.081 . . . . 10.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.39 139.98 50.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 123.223 1.487 . . . . 10.0 113.261 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -106.6 136.99 45.43 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 124.749 2.214 . . . . 10.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -163.19 153.92 16.5 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 124.859 2.266 . . . . 10.0 110.304 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -54.02 160.19 1.58 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 111.318 -2.674 . . . . 10.0 111.826 -179.763 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 71' ' ' GLU . 8.4 tp10 -148.68 104.82 3.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.279 2.237 . . . . 10.0 112.161 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -103.16 117.43 34.52 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 111.143 -2.753 . . . . 10.0 110.423 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD11 ' HG3' ' A' ' 72' ' ' GLU . 5.9 mp -103.21 46.37 0.92 Allowed 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.833 2.583 . . . . 10.0 112.624 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -92.05 118.7 31.05 Favored 'General case' 0 CA--C 1.495 -1.148 0 O-C-N 126.303 2.252 . . . . 10.0 109.487 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.73 -16.22 7.88 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 113.47 -1.696 . . . . 10.0 109.829 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.422 ' CG2' H182 ' A' ' 135' ' ' RTL . 4.8 mt -105.01 -63.49 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 110.916 -2.642 . . . . 10.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 6.25 2.69 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.539 -2.119 . . . . 10.0 114.534 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.72 82.26 0.11 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 122.95 1.357 . . . . 10.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.02 -174.52 4.97 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.177 -3.192 . . . . 10.0 113.696 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.74 123.66 0.54 Allowed 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 124.332 2.015 . . . . 10.0 112.669 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.7 m -144.48 -175.21 4.55 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 113.82 -1.536 . . . . 10.0 110.024 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.6 mtp -118.68 144.9 45.9 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 127.353 2.908 . . . . 10.0 108.181 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.8 166.32 21.07 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 125.141 2.401 . . . . 10.0 113.696 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -158.26 149.78 21.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 110.754 -2.93 . . . . 10.0 111.636 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.77 143.04 35.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 CA-C-N 111.223 -2.717 . . . . 10.0 108.649 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 m -148.08 84.31 1.52 Allowed 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 114.022 -1.445 . . . . 10.0 113.719 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -56.27 133.32 52.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.933 2.646 . . . . 10.0 108.623 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.3 89.17 2.21 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 124.334 1.054 . . . . 10.0 112.594 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.91 -121.04 5.76 Favored Glycine 0 C--O 1.209 -1.449 0 O-C-N 126.598 2.436 . . . . 10.0 114.118 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -100.24 17.37 21.5 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 112.531 -1.834 . . . . 10.0 114.474 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -133.58 -179.21 5.38 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 125.945 2.783 . . . . 10.0 110.189 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.6 tt -157.04 114.63 3.14 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 124.933 2.301 . . . . 10.0 112.61 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.17 141.31 43.26 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.943 -1.935 . . . . 10.0 111.891 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.2 m -115.5 89.63 3.15 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 123.916 1.817 . . . . 10.0 110.052 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -89.6 137.15 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 113.995 -1.457 . . . . 10.0 109.064 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.95 146.13 44.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.146 -1.388 . . . . 10.0 109.753 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.32 74.83 0.9 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.582 1.176 . . . . 10.0 109.099 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.79 -161.96 19.08 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-O 125.534 2.741 . . . . 10.0 109.502 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -105.7 119.95 40.44 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 112.091 -2.054 . . . . 10.0 107.53 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.739 ' CG ' ' N ' ' A' ' 102' ' ' GLU . 1.9 ttmt 62.11 169.67 0.12 Allowed 'General case' 0 C--O 1.206 -1.187 0 O-C-N 128.58 3.675 . . . . 10.0 108.012 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.739 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 2.1 mt-10 80.64 108.31 0.07 Allowed 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.366 4.792 . . . . 10.0 108.005 176.514 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -28.77 -43.95 0.04 OUTLIER Glycine 0 N--CA 1.473 1.117 1 O-C-N 131.465 5.478 . . . . 10.0 106.944 178.236 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 104' ' ' ARG . 0.1 OUTLIER 52.0 170.52 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.966 0 O-C-N 127.472 2.513 . . . . 10.0 115.991 177.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.83 111.4 3.18 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 110.317 -3.129 . . . . 10.0 114.358 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.4 ' CE3' H202 ' A' ' 135' ' ' RTL . 7.8 m0 -106.47 119.7 39.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 111.301 -2.45 . . . . 10.0 107.459 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 p -112.07 160.69 17.27 Favored 'General case' 0 CA--C 1.494 -1.202 0 O-C-N 126.662 2.476 . . . . 10.0 114.041 -179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -144.28 129.68 18.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 111.548 -2.569 . . . . 10.0 112.385 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 9.0 t90 -152.82 87.87 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 110.392 -3.095 . . . . 10.0 113.258 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.62 144.41 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 O-C-N 127.719 3.137 . . . . 10.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -152.86 78.33 1.18 Allowed 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 123.75 1.738 . . . . 10.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.88 -128.75 9.61 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 110.317 -3.129 . . . . 10.0 109.225 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 6.57 39.67 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 112.63 -1.785 . . . . 10.0 112.996 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -117.05 146.74 42.9 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 113.633 -1.621 . . . . 10.0 108.209 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.519 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 1.3 tt -103.03 92.21 4.45 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.123 -1.853 . . . . 10.0 112.784 179.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.54 149.28 25.88 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 111.695 -2.502 . . . . 10.0 109.655 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.8 tp -157.62 128.53 6.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 113.195 -1.821 . . . . 10.0 113.89 -179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -117.96 84.46 2.17 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 126.618 2.449 . . . . 10.0 114.406 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.47 ' CE ' H192 ' A' ' 135' ' ' RTL . 10.0 mtp -76.43 119.27 20.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 112.867 -1.969 . . . . 10.0 111.311 179.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -115.65 138.91 50.61 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 125.699 1.875 . . . . 10.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.38 140.61 11.49 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 112.543 -2.117 . . . . 10.0 108.456 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.44 ' CG ' ' HG3' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 47.15 28.56 0.98 Allowed 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 123.51 1.624 . . . . 10.0 113.92 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.91 78.97 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 112.41 -2.177 . . . . 10.0 114.791 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.5 126.39 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.474 ' CG2' ' HE2' ' A' ' 127' ' ' LYS . 18.5 m -84.58 131.01 34.66 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 126.445 2.341 . . . . 10.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 135.35 34.95 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.612 1.195 . . . . 10.0 108.87 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.474 ' HE2' ' CG2' ' A' ' 125' ' ' THR . 0.0 OUTLIER -121.4 123.8 42.99 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 114.893 -1.049 . . . . 10.0 112.814 179.802 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.97 86.3 2.48 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 123.78 1.752 . . . . 10.0 107.76 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.72 124.65 14.42 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 108.968 -3.742 . . . . 10.0 111.227 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.16 160.15 16.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.061 -1.427 . . . . 10.0 110.075 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -145.58 107.45 4.3 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 124.303 2.002 . . . . 10.0 111.046 -179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 4.0 tttm -52.25 130.78 31.62 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.372 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.04 -59.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-N 112.815 -1.993 . . . . 10.0 113.212 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.827 0 CA-C-N 114.008 -1.451 . . . . 10.0 113.058 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.527 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 122.775 1.274 . . . . 10.0 109.71 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.801 ' HB3' HG21 ' A' ' 42' ' ' ILE . 48.7 m-85 -68.09 -33.41 74.48 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.215 -1.811 . . . . 10.0 115.095 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -55.04 87.46 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 124.632 2.158 . . . . 10.0 114.263 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -168.62 -154.58 9.0 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 113.035 -1.893 . . . . 10.0 110.075 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.92 130.09 46.32 Favored 'General case' 0 CA--C 1.498 -1.051 0 O-C-N 125.802 1.53 . . . . 10.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -136.35 124.85 23.52 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 113.243 -1.799 . . . . 10.0 114.942 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HD3' HG22 ' A' ' 133' ' ' VAL . 42.3 pttt -111.46 144.87 39.98 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.443 0.64 . . . . 10.0 110.075 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 ttp -78.4 137.69 38.13 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-O 122.626 1.203 . . . . 10.0 110.727 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -56.09 3.22 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 112.736 -2.029 . . . . 10.0 113.65 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.6 -172.21 4.16 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 112.48 -2.146 . . . . 10.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -155.75 133.62 11.27 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.815 -2.448 . . . . 10.0 108.766 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.25 -17.28 14.92 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.984 -2.825 . . . . 10.0 112.555 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -144.4 32.34 1.2 Allowed 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' HB2' ' CB ' ' A' ' 13' ' ' ASN . 19.1 t80 -74.97 -23.53 58.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 113.726 -1.579 . . . . 10.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.66 -44.09 24.59 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.13 -1.396 . . . . 10.0 113.497 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -70.78 -29.67 65.93 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 112.655 -2.066 . . . . 10.0 112.71 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -77.71 -23.47 49.46 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 111.873 -2.421 . . . . 10.0 111.476 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 25' ' ' VAL . 11.6 mt -77.66 -28.23 51.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 125.706 2.67 . . . . 10.0 109.027 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 -26.03 61.36 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.633 -2.985 . . . . 10.0 112.821 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 -30.29 66.46 Favored 'General case' 0 CA--C 1.499 -0.983 0 O-C-N 125.272 1.608 . . . . 10.0 112.711 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -101.26 5.96 42.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.913 -1.949 . . . . 10.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 50.26 63.26 2.27 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 111.651 -2.522 . . . . 10.0 114.627 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.51 HG11 HD22 ' A' ' 20' ' ' LEU . 2.1 t -83.86 141.14 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.552 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 25' ' ' VAL . 5.7 m-20 -49.38 160.73 0.23 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 112.9 -1.955 . . . . 10.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.34 -24.44 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 124.323 2.011 . . . . 10.0 112.803 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.04 -46.31 24.19 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.1 1.905 . . . . 10.0 111.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -30.18 71.36 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 113.096 -1.866 . . . . 10.0 114.88 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 12.9 ttm105 -72.16 -32.31 66.74 Favored 'General case' 0 CA--C 1.497 -1.078 0 O-C-N 127.767 3.167 . . . . 10.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.22 62.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.788 -2.46 . . . . 10.0 114.538 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -74.26 -43.74 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 O-C-N 127.977 3.298 . . . . 10.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.72 -20.55 65.02 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 126.392 2.307 . . . . 10.0 114.564 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -70.17 -37.98 75.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.436 -1.256 . . . . 10.0 113.682 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.55 -15.82 47.79 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 127.159 2.787 . . . . 10.0 108.747 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 57' ' ' PHE . 1.7 mp -91.18 150.43 21.37 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 125.626 2.631 . . . . 10.0 109.776 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.19 76.15 1.01 Allowed Pre-proline 0 C--O 1.216 -0.66 0 CA-C-N 110.889 -2.869 . . . . 10.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -44.74 143.64 4.05 Favored 'Trans proline' 0 CA--C 1.497 -1.359 0 O-C-N 126.85 3.026 . . . . 10.0 113.285 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.27 117.02 32.97 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 127.022 2.701 . . . . 10.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -89.87 132.31 35.35 Favored 'General case' 0 C--O 1.209 -1.067 0 O-C-N 125.847 1.967 . . . . 10.0 113.359 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 99.8 5.89 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 110.672 -2.967 . . . . 10.0 108.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.801 HG21 ' HB3' ' A' ' 4' ' ' PHE . 3.2 mp -84.6 144.79 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-N 113.269 -1.787 . . . . 10.0 110.581 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.06 90.88 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 112.02 -2.355 . . . . 10.0 110.038 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -76.49 137.79 39.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.347 1.459 . . . . 10.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -160.6 72.41 0.46 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 124.092 1.901 . . . . 10.0 111.501 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.59 7.51 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 114.18 -1.373 . . . . 10.0 112.58 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.89 -5.64 59.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 127.285 2.403 . . . . 10.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 112.41 -2.177 . . . . 10.0 110.031 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.72 123.58 23.88 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 127.36 2.913 . . . . 10.0 111.565 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 50' ' ' ILE . 2.2 mt -108.48 132.49 56.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 127.543 3.027 . . . . 10.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mt -111.36 104.37 16.96 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 111.906 -2.406 . . . . 10.0 109.556 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -72.24 159.86 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 124.238 1.97 . . . . 10.0 112.438 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.8 m -156.72 104.56 2.16 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 113.208 -1.814 . . . . 10.0 107.414 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.24 97.84 5.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 127.589 3.056 . . . . 10.0 111.698 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 5.28 24.84 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 110.81 -2.905 . . . . 10.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.79 18.63 10.86 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.383 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -118.14 -57.3 2.1 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.775 -1.557 . . . . 10.0 108.657 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -158.58 124.24 4.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 124.493 2.092 . . . . 10.0 109.069 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -79.23 125.44 29.47 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 112.995 -1.911 . . . . 10.0 112.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -135.01 87.95 2.38 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.477 -2.147 . . . . 10.0 111.443 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.9 mp -93.84 145.45 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 CA-C-N 112.727 -2.033 . . . . 10.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.3 mtt -130.17 158.68 39.04 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 127.144 2.777 . . . . 10.0 109.556 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.14 94.75 4.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.967 1.365 . . . . 10.0 109.046 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CD2' HG21 ' A' ' 86' ' ' VAL . 1.9 m-85 -86.62 102.0 13.77 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 111.712 -2.494 . . . . 10.0 111.724 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -89.16 96.05 10.56 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 126.285 2.241 . . . . 10.0 109.071 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -53.92 116.13 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 O-C-N 125.394 1.684 . . . . 10.0 114.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.55 61.84 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 127.225 2.828 . . . . 10.0 112.983 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.97 155.04 21.33 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.549 1.381 . . . . 10.0 114.575 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -90.04 149.79 22.37 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 124.47 1.106 . . . . 10.0 113.973 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 37.7 p90 -161.77 143.52 11.33 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 126.402 2.314 . . . . 10.0 111.455 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.48 162.21 26.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.548 3.03 . . . . 10.0 109.121 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -154.14 95.1 1.8 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 123.565 1.65 . . . . 10.0 114.352 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -79.8 109.75 14.51 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 111.296 -2.684 . . . . 10.0 108.804 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.543 HD23 HD13 ' A' ' 77' ' ' ILE . 7.8 mt -86.92 24.19 1.56 Allowed 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 125.55 1.781 . . . . 10.0 115.303 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -70.76 114.56 8.96 Favored 'General case' 0 CA--C 1.5 -0.946 0 O-C-N 121.062 -1.024 . . . . 10.0 108.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.35 -20.56 4.42 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 124.141 1.967 . . . . 10.0 109.381 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.543 HD13 HD23 ' A' ' 74' ' ' LEU . 4.0 mp -100.45 -69.66 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 109.608 -3.296 . . . . 10.0 107.484 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.14 22.18 0.96 Allowed 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 127.383 2.927 . . . . 10.0 113.547 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 52.2 78.75 0.12 Allowed 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 113.153 -1.84 . . . . 10.0 113.672 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.09 166.57 24.31 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 112.583 -2.099 . . . . 10.0 109.46 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -148.24 133.81 18.75 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 126.452 2.345 . . . . 10.0 108.2 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 19.4 p -163.14 -176.03 4.63 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 124.22 1.962 . . . . 10.0 113.234 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.9 mtt -115.03 127.31 55.57 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 111.472 -2.604 . . . . 10.0 108.46 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.4 m -126.76 145.72 50.5 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.926 -1.488 . . . . 10.0 113.975 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.89 159.12 42.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.576 -1.193 . . . . 10.0 108.679 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.595 HG21 ' CD2' ' A' ' 64' ' ' PHE . 49.1 t -137.32 135.56 47.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 CA-C-O 124.786 2.231 . . . . 10.0 110.011 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -125.9 167.59 15.04 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 112.044 -2.344 . . . . 10.0 115.007 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -124.47 75.08 1.37 Allowed 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.542 3.026 . . . . 10.0 111.933 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -49.58 5.49 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.18 2.8 . . . . 10.0 110.452 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.08 -117.99 0.42 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-O 123.891 1.828 . . . . 10.0 110.97 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -74.75 -13.66 60.62 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 113.569 -1.315 . . . . 10.0 110.347 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -110.2 170.6 7.97 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 126.469 2.356 . . . . 10.0 111.575 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 tp -114.92 143.2 45.53 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.834 3.209 . . . . 10.0 109.017 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -140.94 124.91 17.17 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.75 -1.18 . . . . 10.0 112.058 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.32 133.16 56.29 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 126.405 3.003 . . . . 10.0 107.987 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.36 137.08 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 111.56 -2.563 . . . . 10.0 111.032 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -113.1 126.82 55.88 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 113.338 -1.756 . . . . 10.0 108.889 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -94.43 49.46 1.28 Allowed 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 125.79 1.931 . . . . 10.0 110.766 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.35 -146.14 18.9 Favored Glycine 0 C--O 1.21 -1.399 0 CA-C-O 124.497 2.165 . . . . 10.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -173.29 2.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 112.047 -2.076 . . . . 10.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm 69.44 -171.27 0.18 Allowed 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 126.318 2.261 . . . . 10.0 108.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -138.75 89.38 2.36 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.323 -2.217 . . . . 10.0 113.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 163.66 -36.19 0.31 Allowed Glycine 0 C--N 1.353 1.518 0 CA-C-N 109.254 -3.612 . . . . 10.0 112.159 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.464 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.42 93.96 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 127.263 3.411 . . . . 10.0 112.549 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.85 95.55 0.1 OUTLIER Glycine 0 C--N 1.348 1.197 0 CA-C-N 111.159 -2.746 . . . . 10.0 108.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.497 ' CZ2' ' HG2' ' A' ' 119' ' ' MET . 2.3 m0 -65.66 162.51 18.29 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 125.649 2.643 . . . . 10.0 115.409 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -149.54 145.66 26.96 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 110.272 -3.149 . . . . 10.0 108.084 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.57 162.97 33.24 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.272 2.233 . . . . 10.0 113.694 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -169.23 108.19 0.43 Allowed 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.792 -2.458 . . . . 10.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.404 ' C ' ' HG2' ' A' ' 111' ' ' GLU . 8.8 mt -81.65 143.03 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.645 3.091 . . . . 10.0 109.202 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.404 ' HG2' ' C ' ' A' ' 110' ' ' ILE . 3.1 mt-10 -135.73 44.38 2.51 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 111.71 -2.495 . . . . 10.0 114.465 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -119.75 4.96 Favored Glycine 0 C--O 1.213 -1.218 0 CA-C-N 114.465 -1.243 . . . . 10.0 114.477 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.1 36.42 2.24 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 112.905 -1.648 . . . . 10.0 113.555 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.49 107.24 2.39 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 127.177 2.798 . . . . 10.0 109.389 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.0 93.61 4.49 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 123.624 1.678 . . . . 10.0 114.1 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -92.95 153.68 18.62 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 110.327 -3.124 . . . . 10.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.853 HD11 ' HE3' ' A' ' 119' ' ' MET . 1.8 pt? -166.09 170.63 13.26 Favored 'General case' 0 CA--C 1.495 -1.147 0 CA-C-O 124.183 1.944 . . . . 10.0 111.047 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.94 95.67 4.01 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 111.887 -2.415 . . . . 10.0 112.905 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.853 ' HE3' HD11 ' A' ' 117' ' ' LEU . 24.3 mtt -77.28 141.12 40.12 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.3 -2.227 . . . . 10.0 109.747 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -132.93 139.25 47.24 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.887 3.242 . . . . 10.0 110.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -161.97 116.23 1.89 Allowed 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.408 -2.178 . . . . 10.0 114.144 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 60.2 22.27 11.62 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.38 0.86 59.4 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 112.536 -2.12 . . . . 10.0 113.657 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.95 139.44 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 O-C-N 128.512 3.125 . . . . 10.0 108.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -106.82 125.67 51.3 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 127.672 3.107 . . . . 10.0 111.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 111.13 18.06 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 124.502 2.096 . . . . 10.0 113.686 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.22 115.12 29.13 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.888 -1.506 . . . . 10.0 108.508 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.498 ' HB2' ' HE1' ' A' ' 119' ' ' MET . 0.0 OUTLIER -123.43 116.13 22.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.108 -2.769 . . . . 10.0 107.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.71 118.47 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.167 0 N-CA-C 115.78 1.77 . . . . 10.0 115.78 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -104.31 139.76 38.84 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.929 2.018 . . . . 10.0 108.954 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -112.55 140.93 46.89 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.044 -1.435 . . . . 10.0 113.318 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 140.75 58.34 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.005 -2.361 . . . . 10.0 108.176 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.463 HG22 ' HD3' ' A' ' 9' ' ' LYS . 62.1 t -106.28 -25.33 3.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 128.64 3.712 . . . . 10.0 113.698 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.1 p80 . . . . . 0 C--O 1.26 1.619 0 O-C-N 125.444 1.715 . . . . 10.0 111.691 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.218 -0.554 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -82.41 -6.87 59.56 Favored 'General case' 0 CA--C 1.511 -0.558 0 O-C-N 127.222 2.826 . . . . 10.0 113.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -62.62 134.35 56.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.8 -2.909 . . . . 10.0 109.106 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.67 -163.96 23.18 Favored Glycine 0 C--O 1.212 -1.222 0 CA-C-N 111.611 -2.541 . . . . 10.0 112.395 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 41' ' ' GLU . 3.7 m-85 -112.3 141.72 45.66 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 127.058 2.269 . . . . 10.0 108.408 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 1.3 m95 -146.31 118.52 8.34 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.48 -1.236 . . . . 10.0 113.431 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -116.51 151.14 36.73 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-N 112.487 -2.142 . . . . 10.0 108.82 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.6 ptm -87.69 148.46 24.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 110.516 -3.038 . . . . 10.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.65 -67.14 0.96 Allowed 'General case' 0 CA--C 1.497 -1.062 0 O-C-N 128.84 3.837 . . . . 10.0 112.622 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 t -136.11 162.75 32.06 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.29 179.48 4.1 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 115.553 -0.749 . . . . 10.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -139.43 -48.56 0.48 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 112.849 -1.978 . . . . 10.0 114.057 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -139.92 38.81 1.98 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 125.809 2.719 . . . . 10.0 108.282 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CD2' ' C ' ' A' ' 16' ' ' PHE . 51.5 t80 -65.38 -34.42 78.27 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 113.064 -1.88 . . . . 10.0 115.43 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -73.21 -48.4 35.42 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 111.361 -2.654 . . . . 10.0 113.421 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.19 -27.41 68.67 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 126.17 2.169 . . . . 10.0 113.848 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.499 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 57.0 t80 -66.03 -33.5 75.94 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.729 -3.396 . . . . 10.0 113.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' HB3' HG11 ' A' ' 25' ' ' VAL . 8.0 mt -78.45 -31.3 47.91 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 114.517 -1.22 . . . . 10.0 113.931 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -24.72 65.88 Favored 'General case' 0 C--O 1.21 -0.983 0 O-C-N 126.861 2.6 . . . . 10.0 113.257 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 -25.79 58.24 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 127.025 3.298 . . . . 10.0 113.127 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.1 7.54 46.41 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 110.446 -3.07 . . . . 10.0 108.494 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 51.95 51.42 16.52 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 113.322 -1.763 . . . . 10.0 114.849 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 20' ' ' LEU . 3.8 p -69.99 149.25 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 113.25 -1.795 . . . . 10.0 107.793 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.1 161.09 19.68 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 125.413 2.53 . . . . 10.0 110.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.45 -30.1 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 CA-C-N 111.863 -2.426 . . . . 10.0 113.361 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -71.57 -42.13 68.2 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-O 122.699 1.238 . . . . 10.0 112.203 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -22.01 65.01 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 113.549 -1.66 . . . . 10.0 112.174 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.36 -27.44 46.92 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.504 -1.226 . . . . 10.0 109.604 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -39.55 53.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 112.205 -2.271 . . . . 10.0 110.766 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -71.33 -44.4 72.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 113.077 -1.874 . . . . 10.0 112.977 -179.639 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.12 48.94 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 127.411 2.944 . . . . 10.0 114.797 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.98 -36.75 59.11 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 112.54 -2.118 . . . . 10.0 111.34 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 35' ' ' LEU . 1.1 mt -91.87 -4.05 55.27 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 126.855 2.597 . . . . 10.0 112.557 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 57' ' ' PHE . 1.8 tp -95.09 133.22 39.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 109.603 -3.453 . . . . 10.0 112.707 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -141.54 74.89 23.01 Favored Pre-proline 0 C--O 1.215 -0.749 0 CA-C-N 110.102 -3.226 . . . . 10.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -68.73 168.74 19.26 Favored 'Trans proline' 0 CA--C 1.499 -1.237 0 CA-C-O 124.296 1.707 . . . . 10.0 111.586 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.11 142.51 47.53 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.144 -1.844 . . . . 10.0 108.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 129.39 48.18 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 124.338 2.018 . . . . 10.0 113.781 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 1.4 tt0 -115.42 108.21 16.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 110.687 -2.96 . . . . 10.0 109.824 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 42' ' ' ILE . 3.4 mm -91.1 148.04 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.296 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.44 72.19 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 O-C-N 128.219 3.449 . . . . 10.0 110.972 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.96 129.26 35.91 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 125.355 1.659 . . . . 10.0 112.84 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 -50.82 2.93 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 126.805 2.566 . . . . 10.0 110.786 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.76 91.01 0.08 OUTLIER Glycine 0 C--O 1.209 -1.443 0 O-C-N 127.086 2.741 . . . . 10.0 112.764 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.28 31.29 2.42 Favored 'General case' 0 C--O 1.209 -1.065 0 C-N-CA 125.056 1.343 . . . . 10.0 109.666 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 121.75 8.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.661 3.726 . . . . 10.0 108.142 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.8 mtm -131.91 88.86 2.61 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 126.523 2.39 . . . . 10.0 112.451 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.62 104.92 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-O 124.145 1.926 . . . . 10.0 113.586 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -89.92 109.36 20.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.507 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -100.84 123.42 45.0 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 111.165 -2.743 . . . . 10.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.1 m -107.31 112.68 25.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 123.65 1.691 . . . . 10.0 108.531 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.84 143.2 38.35 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.238 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -28.55 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 112.847 -1.979 . . . . 10.0 114.849 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m 94.18 -15.49 0.11 Allowed 'General case' 0 C--O 1.209 -1.031 0 O-C-N 127.374 2.921 . . . . 10.0 111.583 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.597 ' HB3' HD21 ' A' ' 36' ' ' LEU . 10.3 t80 -84.92 -30.21 24.53 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 123.328 1.537 . . . . 10.0 108.965 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -177.75 132.25 0.16 Allowed 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 109.583 -3.462 . . . . 10.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.88 106.99 18.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.919 -2.4 . . . . 10.0 113.132 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -114.0 109.18 18.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 113.606 -1.633 . . . . 10.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.9 144.2 35.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 CA-C-N 114.318 -1.31 . . . . 10.0 113.082 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.43 147.05 12.17 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 128.112 3.382 . . . . 10.0 111.267 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.43 89.09 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 127.63 3.081 . . . . 10.0 111.312 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.21 124.13 22.62 Favored 'General case' 0 C--O 1.209 -1.065 0 O-C-N 128.325 3.515 . . . . 10.0 112.384 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.3 134.51 46.57 Favored 'General case' 0 CA--C 1.495 -1.169 0 O-C-N 126.168 2.168 . . . . 10.0 110.287 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.25 125.87 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 O-C-N 126.887 2.617 . . . . 10.0 113.22 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.58 -18.6 56.14 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 114.462 -1.244 . . . . 10.0 113.225 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -110.57 150.04 29.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 114.199 1.185 . . . . 10.0 114.199 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HA ' HG23 ' A' ' 85' ' ' THR . 1.7 tm-20 -88.1 144.0 26.75 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 124.469 1.106 . . . . 10.0 112.445 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -168.33 155.22 7.62 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 127.781 3.175 . . . . 10.0 114.196 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.73 168.34 0.2 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 110.745 -2.934 . . . . 10.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.79 67.16 1.4 Allowed 'General case' 0 C--O 1.219 -0.516 0 O-C-N 128.03 3.331 . . . . 10.0 110.659 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.78 99.05 0.21 Allowed 'General case' 0 C--N 1.35 0.604 0 CA-C-N 110.44 -3.073 . . . . 10.0 112.72 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 tp -120.25 78.66 1.37 Allowed 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 125.96 2.79 . . . . 10.0 111.574 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.16 32.36 6.16 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 111.422 -2.626 . . . . 10.0 111.061 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' ILE . . . -144.49 23.55 2.02 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 109.773 -3.376 . . . . 10.0 109.361 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 76' ' ' GLY . 2.3 mp -154.22 -72.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 113.446 -1.377 . . . . 10.0 113.006 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.546 ' N ' HG22 ' A' ' 77' ' ' ILE . 1.3 p30 -117.3 3.35 12.58 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 113.057 -1.883 . . . . 10.0 114.726 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 50.37 67.49 0.91 Allowed 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 126.993 3.282 . . . . 10.0 112.948 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -134.93 149.72 50.29 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 109.807 -3.361 . . . . 10.0 111.301 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 107.97 8.18 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 127.141 2.775 . . . . 10.0 109.54 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.3 m -141.28 177.45 8.09 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.643 -1.286 . . . . 10.0 114.391 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.1 mtp -103.95 141.97 35.23 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 125.369 1.668 . . . . 10.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -142.65 145.95 33.97 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 125.546 2.593 . . . . 10.0 112.694 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -131.28 160.05 36.07 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 110.565 -3.016 . . . . 10.0 110.961 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.55 114.09 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 112.26 -2.245 . . . . 10.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.25 154.07 17.72 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.799 3.187 . . . . 10.0 108.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.51 116.56 19.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.203 -1.362 . . . . 10.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -85.49 -59.58 2.28 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 127.135 2.772 . . . . 10.0 114.238 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 155.94 118.49 0.6 Allowed Glycine 0 C--N 1.35 1.345 0 CA-C-N 114.364 -1.289 . . . . 10.0 111.19 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.7 23.62 9.68 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 125.462 1.331 . . . . 10.0 111.297 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -156.45 169.11 25.37 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 127.546 3.029 . . . . 10.0 108.579 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 tt -151.46 136.41 17.33 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 126.991 2.682 . . . . 10.0 114.052 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.751 ' CG ' HG22 ' A' ' 107' ' ' THR . 6.7 mp0 -129.76 157.49 42.04 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 124.454 2.073 . . . . 10.0 111.642 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.4 m -121.25 108.22 13.48 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 110.829 -2.896 . . . . 10.0 111.79 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.96 123.91 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 O-C-N 125.748 1.905 . . . . 10.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.0 148.25 43.19 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 124.844 1.34 . . . . 10.0 108.858 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -88.65 -89.55 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 127.444 2.965 . . . . 10.0 113.242 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.14 -153.27 5.99 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-O 123.801 1.779 . . . . 10.0 109.785 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -155.68 66.4 0.61 Allowed 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.219 -1.99 . . . . 10.0 113.915 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.521 ' HB3' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -149.86 163.62 37.56 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 124.813 2.244 . . . . 10.0 109.044 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.07 101.69 0.9 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 111.161 -2.745 . . . . 10.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.63 -110.04 2.49 Favored Glycine 0 C--O 1.226 -0.37 0 CA-C-N 111.034 -2.803 . . . . 10.0 113.127 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.521 ' CD ' ' HB3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 54.63 91.49 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.77 0 O-C-N 129.092 3.466 . . . . 10.0 111.997 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.01 123.42 0.67 Allowed Glycine 0 C--O 1.21 -1.378 0 CA-C-N 109.753 -3.385 . . . . 10.0 109.936 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.41 ' CD1' ' N ' ' A' ' 106' ' ' TRP . 0.1 OUTLIER -97.17 169.66 9.65 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 125.259 2.457 . . . . 10.0 109.931 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.751 HG22 ' CG ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -151.52 150.23 30.12 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 110.583 -3.008 . . . . 10.0 111.819 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -134.41 150.42 50.87 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 125.853 1.971 . . . . 10.0 109.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.414 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 7.2 t90 -169.13 79.24 0.12 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 111.526 -2.579 . . . . 10.0 109.145 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.7 mt -52.64 130.93 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-N 110.203 -3.181 . . . . 10.0 111.759 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -128.61 78.91 1.88 Allowed 'General case' 0 CA--C 1.513 -0.472 0 O-C-N 126.663 2.477 . . . . 10.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.18 -130.17 10.14 Favored Glycine 0 C--O 1.216 -1.025 0 CA-C-N 114.327 -1.306 . . . . 10.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 29.21 1.95 Allowed 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -143.88 151.44 39.85 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 114.611 -1.177 . . . . 10.0 111.278 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -102.33 101.65 11.93 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 123.387 1.565 . . . . 10.0 112.69 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -91.56 138.83 31.26 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 114.28 -1.327 . . . . 10.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 pp -157.42 143.4 17.61 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 126.117 2.135 . . . . 10.0 111.52 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.06 92.86 3.28 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 123.997 1.856 . . . . 10.0 112.268 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.7 mtm -80.41 169.18 18.06 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 112.617 -2.083 . . . . 10.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -147.76 142.99 27.22 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 113.489 -1.687 . . . . 10.0 113.186 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.52 111.11 0.9 Allowed 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 114.1 1.148 . . . . 10.0 114.1 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 70.19 21.49 5.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.641 1.21 . . . . 10.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.01 0.37 71.49 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.086 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 50.3 t -91.93 123.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.615 -1.292 . . . . 10.0 114.02 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.81 131.28 37.28 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 128.358 3.536 . . . . 10.0 112.376 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.499 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 2.5 t -131.84 114.23 14.45 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 111.874 -2.421 . . . . 10.0 111.121 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -116.56 132.18 56.75 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 112.005 -2.361 . . . . 10.0 112.558 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -118.89 124.02 46.08 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 111.245 -2.707 . . . . 10.0 112.744 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.7 t -93.51 110.14 22.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 112.976 -1.92 . . . . 10.0 108.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.461 ' HB2' ' HB3' ' A' ' 115' ' ' LEU . 3.1 m-85 -97.55 169.89 9.4 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 112.555 -2.111 . . . . 10.0 110.31 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 134.8 20.64 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 110.014 -3.266 . . . . 10.0 108.869 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.431 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 9.5 tttt -97.77 133.61 42.05 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 110.879 -2.873 . . . . 10.0 108.658 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.0 t -100.22 -46.13 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 112.166 -2.288 . . . . 10.0 109.815 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.26 1.652 0 CA-C-N 110.673 -2.967 . . . . 10.0 111.067 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 42' ' ' ILE . 6.1 m-85 -97.59 -40.44 8.62 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 126.145 2.153 . . . . 10.0 110.224 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.92 117.7 5.78 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 110.953 -2.839 . . . . 10.0 111.932 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.07 -145.16 10.43 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 123.807 1.782 . . . . 10.0 109.884 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HB2' ' HB ' ' A' ' 133' ' ' VAL . 5.8 m-85 -137.81 124.11 20.57 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 121.672 -0.899 . . . . 10.0 110.205 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 1.6 m95 -129.38 120.5 25.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 124.789 2.233 . . . . 10.0 112.774 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.7 -179.73 3.74 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 111.895 -2.411 . . . . 10.0 108.4 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 175.97 5.31 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.681 1.705 . . . . 10.0 113.853 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -136.17 -56.53 0.76 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 110.177 -3.192 . . . . 10.0 109.715 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.6 179.28 8.52 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 113.494 -1.684 . . . . 10.0 114.236 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.93 169.66 10.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 111.182 -2.736 . . . . 10.0 108.515 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.64 -58.03 0.48 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 125.083 1.489 . . . . 10.0 113.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -136.22 40.98 2.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 127.839 3.212 . . . . 10.0 108.73 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -70.18 -31.49 68.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 111.268 -2.696 . . . . 10.0 112.612 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.85 -46.2 46.44 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.4 -1.273 . . . . 10.0 112.366 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.44 -27.58 65.38 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.163 -0.926 . . . . 10.0 112.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 70.9 t80 -73.25 -28.08 61.94 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 126.602 2.438 . . . . 10.0 110.621 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 mt -73.67 -44.47 56.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.475 -1.239 . . . . 10.0 110.786 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -65.41 -20.93 66.59 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.354 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.06 62.69 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 123.771 1.748 . . . . 10.0 112.165 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.58 -15.16 27.26 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 110.554 -3.021 . . . . 10.0 110.07 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 76.57 61.78 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 126.154 2.159 . . . . 10.0 114.635 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.7 155.52 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 114.517 -1.22 . . . . 10.0 110.357 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.35 167.89 0.18 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 126.746 2.529 . . . . 10.0 112.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -77.82 -27.36 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 110.857 -2.883 . . . . 10.0 113.314 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.05 -47.53 24.36 Favored 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 129.111 4.007 . . . . 10.0 113.414 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -28.5 69.83 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 125.147 2.403 . . . . 10.0 113.976 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -27.19 52.72 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 110.549 -3.023 . . . . 10.0 111.344 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -79.89 -31.41 40.27 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 109.733 -3.394 . . . . 10.0 114.39 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.72 HG22 ' CZ ' ' A' ' 57' ' ' PHE . 43.9 mt -78.85 -43.26 24.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 112.309 -2.223 . . . . 10.0 113.088 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -27.82 69.56 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.587 -1.642 . . . . 10.0 112.843 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.79 -32.38 73.63 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 125.188 1.555 . . . . 10.0 113.275 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 35' ' ' LEU . 43.3 mt -78.59 -49.62 12.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.945 1.831 . . . . 10.0 112.609 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 57' ' ' PHE . 2.6 mm? -62.5 150.23 40.77 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 109.484 -3.507 . . . . 10.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -143.97 82.37 11.07 Favored Pre-proline 0 C--O 1.211 -0.931 0 O-C-N 126.829 2.581 . . . . 10.0 108.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.97 -179.11 0.21 Allowed 'Trans proline' 0 CA--C 1.494 -1.499 1 O-C-N 129.084 4.202 . . . . 10.0 111.642 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -145.68 155.99 43.35 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 112.451 -2.159 . . . . 10.0 109.345 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 42' ' ' ILE . 21.4 mttp -121.07 132.93 55.18 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -116.49 122.02 43.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 127.035 2.71 . . . . 10.0 107.664 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' A' ' 4' ' ' PHE . 4.7 mp -121.6 133.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 O-C-N 126.446 2.341 . . . . 10.0 113.759 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.71 81.03 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 127.351 2.907 . . . . 10.0 113.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -71.71 131.35 43.01 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-N 111.74 -2.482 . . . . 10.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.53 21.26 10.21 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 124.571 2.129 . . . . 10.0 114.146 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 108.25 0.59 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 112.342 -2.208 . . . . 10.0 110.75 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 59.7 21.92 10.68 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 126.203 1.767 . . . . 10.0 110.696 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 48' ' ' HIS . 14.1 t-160 -158.62 112.8 2.47 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.293 -2.23 . . . . 10.0 109.348 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttm -128.88 138.03 51.79 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.125 -2.761 . . . . 10.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.3 mt -118.42 109.45 27.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 126.331 2.269 . . . . 10.0 108.452 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.1 mt -99.84 109.06 23.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.333 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -101.26 110.2 22.18 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 109.88 -3.327 . . . . 10.0 112.949 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 102.94 14.81 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 112.413 -2.176 . . . . 10.0 107.952 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.28 119.67 25.91 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 112.963 -1.926 . . . . 10.0 114.459 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.09 166.16 26.16 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.055 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.7 p -81.75 -17.02 49.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 123.214 1.483 . . . . 10.0 112.095 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.72 ' CZ ' HG22 ' A' ' 32' ' ' ILE . 2.3 m-85 -85.47 -47.41 9.96 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.965 -1.471 . . . . 10.0 113.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -170.17 144.98 2.71 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 127.305 2.878 . . . . 10.0 114.295 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -84.63 124.52 31.55 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.676 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -120.07 97.3 5.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 125.54 2.59 . . . . 10.0 111.822 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.6 126.12 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.57 ' HE3' ' HG2' ' A' ' 72' ' ' GLU . 32.9 mtp -130.06 124.75 33.56 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 124.831 1.332 . . . . 10.0 110.064 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -90.53 57.22 3.56 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 114.583 -1.19 . . . . 10.0 112.149 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -47.88 141.17 5.96 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.796 1.284 . . . . 10.0 114.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.21 113.02 13.93 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 111.746 -2.479 . . . . 10.0 107.678 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -84.12 125.09 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.074 0 CA-C-O 124.023 1.868 . . . . 10.0 114.203 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.99 -26.45 19.16 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 110.941 -2.845 . . . . 10.0 111.334 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 169.53 8.53 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 127.514 2.538 . . . . 10.0 112.604 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -113.92 139.43 49.21 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 112.366 -2.197 . . . . 10.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 8.1 p90 -160.88 145.27 13.8 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.638 -1.619 . . . . 10.0 110.726 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.61 161.92 5.58 Favored 'General case' 0 N--CA 1.462 0.145 0 O-C-N 126.673 2.483 . . . . 10.0 110.165 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HG2' ' HE3' ' A' ' 62' ' ' MET . 4.0 tt0 -139.41 133.46 31.06 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 110.831 -2.895 . . . . 10.0 109.153 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.7 119.13 38.3 Favored 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 127.301 2.875 . . . . 10.0 109.596 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.35 24.78 8.37 Favored 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 125.905 2.003 . . . . 10.0 110.683 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.1 p -75.9 135.26 40.13 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 126.899 3.238 . . . . 10.0 110.411 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.26 -12.49 55.15 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.64 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -112.77 -85.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 111.374 -2.413 . . . . 10.0 108.622 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.95 11.09 3.94 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.3 t0 40.94 89.09 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 125.796 1.935 . . . . 10.0 114.224 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.68 46.44 0.71 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 123.336 1.541 . . . . 10.0 110.146 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -39.56 120.32 1.07 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 109.556 -3.475 . . . . 10.0 113.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.4 m -148.46 -175.4 4.9 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 118.382 -1.327 . . . . 10.0 114.441 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.21 143.64 26.45 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 125.209 1.568 . . . . 10.0 110.072 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 133.92 24.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 123.923 1.82 . . . . 10.0 113.948 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.5 148.03 45.65 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-N 111.669 -2.514 . . . . 10.0 109.717 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.86 143.33 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 119.457 -0.897 . . . . 10.0 109.568 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -140.99 -166.92 2.26 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 126.475 2.359 . . . . 10.0 109.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -137.8 160.24 39.8 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 125.823 1.952 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.66 57.43 1.11 Allowed 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 123.686 1.708 . . . . 10.0 112.13 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.96 -96.34 2.0 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-N 113.4 -1.727 . . . . 10.0 114.747 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -93.57 -18.33 22.35 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 127.364 2.45 . . . . 10.0 114.766 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 156.33 37.3 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.24 88.49 2.78 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 128.07 3.356 . . . . 10.0 108.639 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -93.17 151.96 19.52 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 125.913 2.008 . . . . 10.0 107.948 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 16.7 m -117.32 157.57 25.89 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 126.656 2.472 . . . . 10.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.2 133.83 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 111.969 -2.378 . . . . 10.0 111.804 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -97.52 168.79 10.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.043 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -143.24 58.35 1.4 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 117.863 -1.535 . . . . 10.0 108.905 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.63 72.61 0.33 Allowed Glycine 0 C--N 1.339 0.733 0 CA-C-N 112.418 -2.174 . . . . 10.0 114.6 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 63.04 -159.56 0.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 O-C-N 127.677 2.634 . . . . 10.0 114.39 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.409 ' HB3' ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER 68.37 -175.44 0.2 Allowed 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.701 1.239 . . . . 10.0 109.021 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -164.01 101.15 0.87 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 124.918 2.294 . . . . 10.0 108.661 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.61 -36.38 1.17 Allowed Glycine 0 N--CA 1.465 0.576 0 CA-C-N 110.088 -3.233 . . . . 10.0 113.19 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 101' ' ' LYS . 21.8 ptt-85 -45.18 148.64 0.58 Allowed 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 127.737 2.669 . . . . 10.0 113.026 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.13 87.81 0.48 Allowed Glycine 0 C--N 1.351 1.383 0 CA-C-N 110.05 -3.25 . . . . 10.0 109.49 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.95 134.46 43.14 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 126.169 1.746 . . . . 10.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 147.63 43.9 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 127.38 2.925 . . . . 10.0 109.994 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.13 162.69 18.2 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 110.405 -3.088 . . . . 10.0 109.277 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -140.06 -62.02 0.51 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 112.276 -2.238 . . . . 10.0 114.085 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CG1' ' HG ' ' A' ' 115' ' ' LEU . 3.8 mt 70.26 142.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 128.153 3.408 . . . . 10.0 112.419 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -126.27 -175.17 3.3 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 110.373 -3.103 . . . . 10.0 110.54 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.89 -46.42 60.58 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 113.495 -1.684 . . . . 10.0 111.229 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.17 69.66 0.78 Allowed 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.538 -0.831 . . . . 10.0 111.742 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 164.6 130.49 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.934 0 O-C-N 127.421 2.951 . . . . 10.0 109.386 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.528 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -90.93 113.8 26.11 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 111.932 -2.395 . . . . 10.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -107.89 102.45 11.64 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 113.006 -1.907 . . . . 10.0 110.763 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -124.02 149.49 45.99 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.121 2.763 . . . . 10.0 108.891 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -128.72 97.98 4.85 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.384 -1.735 . . . . 10.0 113.078 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 71.3 mtp -86.99 127.79 35.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 127.354 2.909 . . . . 10.0 113.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -125.43 155.62 40.16 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.339 2.274 . . . . 10.0 111.47 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -170.06 128.65 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 128.021 3.325 . . . . 10.0 112.482 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 64.07 17.14 10.45 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.4 1.259 . . . . 10.0 114.4 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.28 57.46 Favored Glycine 0 C--O 1.216 -0.993 0 O-C-N 125.278 1.611 . . . . 10.0 113.345 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.73 137.87 24.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 111.755 -2.223 . . . . 10.0 108.592 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 m -111.55 133.46 53.81 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 112.598 -2.092 . . . . 10.0 113.365 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -137.92 132.03 31.79 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 112.178 -2.283 . . . . 10.0 110.516 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.17 18.5 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 113.487 -1.688 . . . . 10.0 113.14 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -96.53 140.27 31.4 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 125.039 1.336 . . . . 10.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.73 99.53 8.73 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 124.237 1.97 . . . . 10.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -100.24 136.5 40.04 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-N 111.597 -2.547 . . . . 10.0 107.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 9.2 tptm -103.45 126.88 50.86 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 110.929 -2.851 . . . . 10.0 114.588 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -75.18 151.51 38.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 128.796 3.81 . . . . 10.0 109.373 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 134' ' ' HIS . 24.3 t -115.22 -71.91 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 111.447 -2.615 . . . . 10.0 108.428 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.438 ' N ' HG12 ' A' ' 133' ' ' VAL . 2.4 t-80 . . . . . 0 C--O 1.245 0.823 0 O-C-N 127.057 2.723 . . . . 10.0 112.588 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--O 1.209 -1.029 0 CA-C-O 123.696 1.712 . . . . 10.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -87.14 -21.08 26.18 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 112.033 -2.349 . . . . 10.0 113.842 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -49.36 133.31 19.95 Favored 'General case' 0 CA--C 1.507 -0.686 0 O-C-N 124.636 1.21 . . . . 10.0 111.723 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.34 -158.88 23.61 Favored Glycine 0 C--O 1.208 -1.508 0 CA-C-O 123.307 1.504 . . . . 10.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.56 129.51 55.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.563 -1.819 . . . . 10.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.467 ' CD1' HD12 ' A' ' 42' ' ' ILE . 20.8 m95 -123.51 118.6 27.75 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 124.946 1.404 . . . . 10.0 109.042 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HG2' ' CG2' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.79 143.49 44.56 Favored 'General case' 0 C--O 1.21 -1.021 0 O-C-N 126.69 2.493 . . . . 10.0 109.595 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.53 168.77 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 126.883 3.23 . . . . 10.0 115.449 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -142.51 -56.62 0.44 Allowed 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 109.568 -3.469 . . . . 10.0 109.778 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 p -170.7 147.79 2.87 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 126.567 2.417 . . . . 10.0 109.368 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.95 127.65 32.85 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 112.69 -2.05 . . . . 10.0 108.639 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -113.58 146.6 39.45 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 127.389 2.931 . . . . 10.0 112.33 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 51.3 27.62 3.72 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 125.545 2.593 . . . . 10.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -76.22 -30.91 58.14 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 113.079 -1.873 . . . . 10.0 112.479 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -27.24 57.47 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 111.162 -2.744 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.65 -29.59 59.17 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 112.081 -2.327 . . . . 10.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -73.38 -23.99 60.25 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 111.956 -2.384 . . . . 10.0 110.421 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 20' ' ' LEU . 55.1 mt -76.0 -39.18 56.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 126.063 2.102 . . . . 10.0 112.973 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.449 ' NH1' HH11 ' A' ' 30' ' ' ARG . 1.9 ttp-105 -62.84 -23.41 67.28 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 113.031 -1.895 . . . . 10.0 115.158 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -23.83 60.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 112.92 -1.945 . . . . 10.0 111.824 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 19' ' ' TYR . 25.0 mt -106.48 29.91 6.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.298 -1.319 . . . . 10.0 111.668 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 35.62 43.01 0.15 Allowed 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 128.471 3.607 . . . . 10.0 115.308 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -78.43 141.77 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.803 -2.908 . . . . 10.0 108.638 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -45.99 153.05 0.33 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-O 123.136 1.445 . . . . 10.0 111.413 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 p -72.48 -20.19 19.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 CA-C-N 110.271 -3.149 . . . . 10.0 111.729 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.88 -37.22 55.91 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 112.129 -2.305 . . . . 10.0 109.66 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -68.4 -22.24 64.64 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.282 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.449 HH11 ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.6 -30.57 41.56 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 125.998 2.061 . . . . 10.0 108.64 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -39.97 89.42 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 126.866 2.604 . . . . 10.0 111.73 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 57' ' ' PHE . 60.6 mt -79.04 -38.3 20.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 110.346 -3.115 . . . . 10.0 111.907 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -59.52 -22.87 62.27 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.884 -2.416 . . . . 10.0 114.713 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.62 -22.4 66.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.795 -1.548 . . . . 10.0 113.694 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.78 24.27 7.75 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 126.571 2.419 . . . . 10.0 113.564 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -105.6 94.41 5.19 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 111.804 -2.453 . . . . 10.0 109.195 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -129.59 82.38 67.47 Favored Pre-proline 0 CA--C 1.504 -0.792 0 CA-C-N 110.933 -2.849 . . . . 10.0 108.241 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 36' ' ' LEU . 4.2 Cg_exo -67.76 -171.86 0.36 Allowed 'Trans proline' 0 CA--C 1.494 -1.521 0 O-C-N 127.156 3.187 . . . . 10.0 114.68 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.28 170.51 11.8 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 111.61 -2.541 . . . . 10.0 108.512 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -141.34 145.13 35.04 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 125.256 1.598 . . . . 10.0 114.197 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -138.93 128.91 25.13 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 110.609 -2.996 . . . . 10.0 108.618 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.467 HD12 ' CD1' ' A' ' 8' ' ' TRP . 3.2 mt -121.69 145.02 28.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-N 111.841 -2.436 . . . . 10.0 112.782 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.06 80.94 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 111.876 -2.42 . . . . 10.0 110.008 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' HG2' ' CE ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -50.89 119.21 3.71 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 123.668 1.699 . . . . 10.0 114.037 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -152.15 99.9 2.57 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.263 -2.244 . . . . 10.0 108.011 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.08 131.93 1.04 Allowed Glycine 0 C--O 1.211 -1.302 0 O-C-N 126.615 2.447 . . . . 10.0 113.534 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 69.25 34.06 3.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.172 1.175 . . . . 10.0 114.172 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.464 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 1.4 m170 158.8 80.06 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 126.353 2.283 . . . . 10.0 112.32 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.448 ' CE ' ' HG2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -94.71 101.04 12.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.616 -1.629 . . . . 10.0 108.285 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.51 121.68 36.59 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 O-C-N 127.966 3.291 . . . . 10.0 110.046 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.49 108.45 25.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 111.92 -2.4 . . . . 10.0 108.883 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.97 151.48 23.71 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 110.159 -3.201 . . . . 10.0 109.555 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.7 m -148.82 96.31 2.55 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 128.866 3.854 . . . . 10.0 109.25 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.58 82.09 2.41 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 124.576 2.131 . . . . 10.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -100.61 -4.06 29.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 111.153 -2.749 . . . . 10.0 113.836 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.06 24.73 6.3 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 112.937 -1.938 . . . . 10.0 113.55 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -127.48 -68.5 0.78 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 126.582 2.426 . . . . 10.0 110.836 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.54 62.09 1.62 Allowed 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 112.761 -2.018 . . . . 10.0 111.677 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 8.8 m120 -31.56 93.73 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 127.931 3.27 . . . . 10.0 113.424 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 62' ' ' MET . 3.1 t80 -83.18 73.04 10.13 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 128.718 3.761 . . . . 10.0 114.649 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 59' ' ' ASN . 1.3 mp -100.0 117.16 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 109.879 -3.328 . . . . 10.0 112.528 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.433 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 18.7 mtt -146.86 152.09 38.14 Favored 'General case' 0 CA--C 1.495 -1.146 0 CA-C-O 124.127 1.917 . . . . 10.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -96.9 71.77 2.52 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 110.338 -3.119 . . . . 10.0 113.215 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.2 115.03 2.21 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 112.814 -1.994 . . . . 10.0 112.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 27.0 mt-30 -91.14 143.4 26.72 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 112.84 -1.982 . . . . 10.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.37 125.95 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-O 123.975 1.845 . . . . 10.0 111.943 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.86 20.51 59.43 Favored Glycine 0 C--O 1.215 -1.091 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.802 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -134.46 141.91 46.92 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-O 125.034 2.349 . . . . 10.0 114.539 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -90.63 102.44 15.19 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 111.98 -2.373 . . . . 10.0 108.034 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 70' ' ' PHE . 21.9 p90 -134.39 150.19 50.87 Favored 'General case' 0 CA--C 1.494 -1.193 0 O-C-N 127.633 3.083 . . . . 10.0 110.327 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.91 133.52 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 113.899 -1.501 . . . . 10.0 113.96 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -105.85 97.43 7.26 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.904 2.003 . . . . 10.0 113.2 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.35 105.98 2.34 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 112.174 -2.284 . . . . 10.0 112.639 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.99 10.62 34.92 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.411 1.694 . . . . 10.0 112.826 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 75' ' ' THR . 1.2 m -58.75 99.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 123.123 1.439 . . . . 10.0 111.275 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.09 -29.1 0.9 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 113.18 -1.827 . . . . 10.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.91 -65.59 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 113.567 -1.316 . . . . 10.0 112.95 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.9 1.58 8.69 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.684 1.865 . . . . 10.0 112.964 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 t70 48.43 90.45 0.02 OUTLIER 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.739 1.733 . . . . 10.0 114.339 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.25 123.25 0.13 Allowed 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.04 1.126 . . . . 10.0 114.04 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -84.97 128.99 34.87 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 125.625 1.828 . . . . 10.0 109.463 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 m -144.17 154.26 42.97 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 125.283 2.468 . . . . 10.0 110.531 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtt -81.93 138.04 35.06 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 110.391 -3.095 . . . . 10.0 111.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 85' ' ' THR . 2.7 m -127.41 153.96 45.61 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.32 -3.127 . . . . 10.0 113.406 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.451 ' N ' HG22 ' A' ' 84' ' ' THR . 0.2 OUTLIER -151.28 147.21 26.69 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 111.075 -2.784 . . . . 10.0 109.875 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.738 ' CG1' HD11 ' A' ' 93' ' ' LEU . 48.6 t -131.23 117.63 37.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 126.694 2.497 . . . . 10.0 110.402 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -122.67 156.94 33.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 124.948 2.308 . . . . 10.0 113.737 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 140.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 111.438 -2.619 . . . . 10.0 112.333 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.56 112.59 2.46 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 111.985 -2.371 . . . . 10.0 114.29 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.86 56.73 7.33 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.122 -0.944 . . . . 10.0 113.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 46.61 37.01 4.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 125.045 1.085 . . . . 10.0 113.913 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.52 109.78 8.37 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 127.041 2.713 . . . . 10.0 109.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.738 HD11 ' CG1' ' A' ' 86' ' ' VAL . 13.1 tp -81.89 130.37 35.05 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.034 -2.348 . . . . 10.0 111.404 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -134.09 164.51 27.17 Favored 'General case' 0 C--O 1.209 -1.071 0 CA-C-N 110.277 -3.147 . . . . 10.0 109.507 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 158.44 26.74 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 113.35 -1.75 . . . . 10.0 108.717 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.37 104.97 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 112.496 -2.138 . . . . 10.0 108.972 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -109.47 106.58 16.39 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.409 -1.723 . . . . 10.0 108.132 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -44.95 -55.87 5.1 Favored 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.088 3.368 . . . . 10.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.78 -157.94 0.14 Allowed Glycine 0 C--O 1.209 -1.411 0 O-C-N 126.271 2.232 . . . . 10.0 113.81 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.49 18.54 4.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 113.478 -1.361 . . . . 10.0 112.179 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -125.36 174.24 8.29 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 126.889 2.618 . . . . 10.0 108.585 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -102.71 137.68 40.61 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 124.896 1.372 . . . . 10.0 111.614 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.27 24.27 52.01 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-N 111.538 -2.574 . . . . 10.0 112.503 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -83.77 129.43 34.94 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.983 -1.608 . . . . 10.0 113.137 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.87 142.39 4.71 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 112.98 -1.918 . . . . 10.0 111.344 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -96.31 -175.57 3.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 113.574 -1.313 . . . . 10.0 113.055 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.8 m -160.54 117.55 2.42 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 128.062 3.351 . . . . 10.0 110.413 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.561 ' HG2' HD21 ' A' ' 115' ' ' LEU . 6.0 mt-30 -103.53 126.57 50.76 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 126.097 2.123 . . . . 10.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 10.6 t90 -147.84 103.36 3.49 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.751 1.739 . . . . 10.0 108.658 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.3 mt -78.45 151.67 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.835 0 CA-C-N 113.026 -1.897 . . . . 10.0 112.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -137.13 75.69 1.54 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 110.689 -2.96 . . . . 10.0 110.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.67 -106.55 2.54 Favored Glycine 0 C--O 1.213 -1.214 0 CA-C-N 112.431 -2.168 . . . . 10.0 110.588 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.71 71.54 0.76 Allowed 'General case' 0 CA--C 1.497 -1.087 0 CA-C-N 111.111 -2.545 . . . . 10.0 111.3 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.69 140.66 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 111.142 -2.754 . . . . 10.0 109.905 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.561 HD21 ' HG2' ' A' ' 108' ' ' GLN . 0.9 OUTLIER -98.72 108.04 20.64 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 111.044 -2.798 . . . . 10.0 114.197 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 94.52 9.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-N 111.686 -2.507 . . . . 10.0 110.806 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.543 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.0 tp -107.04 138.04 43.97 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.695 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -131.28 95.04 3.68 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 127.962 3.289 . . . . 10.0 113.421 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.12 133.1 35.07 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 125.29 1.619 . . . . 10.0 111.155 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -126.62 140.19 52.61 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 115.096 -0.956 . . . . 10.0 110.811 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -155.95 114.56 3.44 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 127.627 3.079 . . . . 10.0 111.415 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.59 19.91 4.91 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 112.868 -1.969 . . . . 10.0 112.268 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.51 -14.72 64.11 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 111.241 -2.709 . . . . 10.0 112.108 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.5 t -79.68 130.46 36.01 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.955 0 O-C-N 125.579 1.399 . . . . 10.0 108.009 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 55.0 m -97.1 131.65 43.66 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 112.69 -2.05 . . . . 10.0 113.509 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -124.29 118.3 26.48 Favored 'General case' 0 C--N 1.341 0.204 0 O-C-N 125.661 1.851 . . . . 10.0 108.577 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -114.72 114.7 25.97 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 126.098 2.124 . . . . 10.0 112.956 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -106.34 155.29 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 127.819 3.199 . . . . 10.0 108.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.92 124.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 O-C-N 125.062 1.476 . . . . 10.0 113.263 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.408 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 52.7 m-85 -116.91 118.48 32.57 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 122.455 1.122 . . . . 10.0 109.728 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 tmtp? -82.38 127.87 33.68 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 123.982 1.849 . . . . 10.0 109.688 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 136.69 36.57 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' ' 9' ' ' LYS . 1.7 t -125.28 1.2 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 114.315 -1.311 . . . . 10.0 113.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.5 m80 . . . . . 0 C--O 1.242 0.693 0 CA-C-O 113.516 -3.135 . . . . 10.0 110.854 -179.897 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.512 -0.505 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.586 ' HB3' HG21 ' A' ' 42' ' ' ILE . 5.2 m-30 -101.86 -16.94 16.41 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.799 3.187 . . . . 10.0 114.043 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -54.36 115.45 2.1 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 126.157 2.161 . . . . 10.0 113.683 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.71 -171.78 31.16 Favored Glycine 0 C--O 1.216 -0.996 0 CA-C-O 125.316 2.62 . . . . 10.0 112.517 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.441 ' C ' ' CG ' ' A' ' 8' ' ' TRP . 8.1 m-85 -103.92 143.1 33.3 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 112.67 -1.765 . . . . 10.0 113.313 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.736 ' CE3' HD13 ' A' ' 115' ' ' LEU . 10.1 m95 -146.79 146.11 30.14 Favored 'General case' 0 CA--C 1.501 -0.929 1 O-C-N 129.154 4.034 . . . . 10.0 110.169 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -128.8 156.65 43.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 128.045 3.341 . . . . 10.0 110.302 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 128.96 41.67 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 128.112 3.383 . . . . 10.0 110.76 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.98 -60.74 1.62 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 110.069 -3.241 . . . . 10.0 111.653 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -144.48 150.12 37.08 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 112.609 -2.087 . . . . 10.0 109.584 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.464 HD21 ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -101.53 -178.59 3.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 124.145 1.926 . . . . 10.0 109.979 179.479 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -173.7 114.84 0.22 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 111.897 -2.41 . . . . 10.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 57.38 33.49 23.36 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 124.957 2.313 . . . . 10.0 112.564 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 78.3 t80 -78.45 -25.97 46.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.331 -2.213 . . . . 10.0 108.414 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -75.41 -39.62 58.78 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 128.013 3.321 . . . . 10.0 111.985 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.16 -25.78 60.94 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.635 2.46 . . . . 10.0 112.028 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.75 -29.0 50.82 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.374 -2.194 . . . . 10.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.56 -30.58 66.04 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.301 -2.227 . . . . 10.0 113.097 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -71.71 -25.26 62.01 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 113.666 -1.606 . . . . 10.0 114.307 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 122' ' ' GLU . . . -71.31 -27.83 63.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.494 1.14 . . . . 10.0 112.554 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -97.04 7.7 46.09 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 125.296 2.474 . . . . 10.0 107.986 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER 51.29 44.52 28.79 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.379 -1.737 . . . . 10.0 114.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.41 132.41 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.173 0 CA-C-N 113.153 -1.84 . . . . 10.0 111.511 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -45.44 153.82 0.22 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 125.74 2.686 . . . . 10.0 114.998 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 27' ' ' VAL . 6.5 t -68.99 -28.72 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 CA-C-N 111.28 -2.691 . . . . 10.0 113.193 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.84 47.8 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 124.734 2.207 . . . . 10.0 111.633 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -29.76 66.94 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 111.172 -2.74 . . . . 10.0 111.525 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -75.39 -33.48 61.01 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 125.938 2.024 . . . . 10.0 113.065 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -34.01 77.07 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 127.156 2.785 . . . . 10.0 111.418 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -78.52 -34.17 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.009 0 CA-C-N 109.44 -3.527 . . . . 10.0 112.109 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -66.72 -23.84 66.16 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-O 124.151 1.929 . . . . 10.0 112.593 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -70.86 -28.06 64.29 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.631 -1.293 . . . . 10.0 112.59 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.5 mt -90.61 -37.16 13.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 126.986 2.679 . . . . 10.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.23 166.91 17.12 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 110.562 -3.017 . . . . 10.0 114.215 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.94 68.13 0.07 OUTLIER Pre-proline 0 C--O 1.21 -1.003 0 CA-C-N 110.499 -3.046 . . . . 10.0 108.488 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -56.23 170.6 1.11 Allowed 'Trans proline' 0 C--O 1.21 -0.92 0 O-C-N 126.064 2.613 . . . . 10.0 113.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.31 138.62 36.15 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 111.927 -2.397 . . . . 10.0 111.43 -179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -105.19 130.85 53.25 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.969 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -125.31 97.86 5.39 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.571 -1.195 . . . . 10.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' A' ' 4' ' ' PHE . 4.3 mp -82.64 131.34 33.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 C-N-CA 119.568 -0.853 . . . . 10.0 112.242 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 t -125.51 88.39 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 126.203 2.189 . . . . 10.0 111.314 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -86.15 141.33 29.45 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 113.36 -1.745 . . . . 10.0 110.408 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -156.23 66.15 0.57 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 126.181 2.175 . . . . 10.0 113.084 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 98.63 0.03 OUTLIER Glycine 0 C--O 1.213 -1.168 0 CA-C-N 110.943 -2.844 . . . . 10.0 109.17 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 72.85 -58.78 0.59 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 127.607 2.592 . . . . 10.0 110.686 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -59.57 139.73 56.91 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.668 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.9 ttm -152.9 89.81 1.41 Allowed 'General case' 0 CA--C 1.506 -0.713 1 O-C-N 129.107 4.004 . . . . 10.0 111.479 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 52' ' ' ARG . 3.1 mt -84.6 126.19 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 112.093 -2.321 . . . . 10.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 51' ' ' ILE . 3.3 mt -110.28 89.4 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 127.663 3.102 . . . . 10.0 109.136 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HG3' HG22 ' A' ' 50' ' ' ILE . 7.9 mtm180 -85.65 126.95 34.32 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 127.837 3.21 . . . . 10.0 114.898 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.512 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 m -114.07 96.26 5.72 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-O 125.471 2.557 . . . . 10.0 111.463 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -77.48 115.67 17.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.165 -3.198 . . . . 10.0 114.611 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 p -158.91 132.38 7.36 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 111.874 -2.421 . . . . 10.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 p -47.99 -31.5 5.41 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 112.407 -2.178 . . . . 10.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -64.99 -57.61 8.27 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 128.103 3.377 . . . . 10.0 113.983 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -157.45 129.53 7.16 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 123.118 1.437 . . . . 10.0 111.425 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -81.01 103.51 10.88 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.531 -1.668 . . . . 10.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.512 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 46.9 t80 -102.52 108.39 19.68 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 125.711 1.882 . . . . 10.0 113.352 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.44 126.07 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 112.147 -2.297 . . . . 10.0 111.678 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.51 120.49 5.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 112.742 -2.026 . . . . 10.0 112.62 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -64.41 159.39 21.4 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.394 2.309 . . . . 10.0 107.426 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -114.55 -47.5 2.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 127.047 2.717 . . . . 10.0 113.028 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 60.36 99.06 0.03 OUTLIER 'General case' 0 C--O 1.211 -0.968 0 O-C-N 125.795 1.934 . . . . 10.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.924 HG22 HG11 ' A' ' 86' ' ' VAL . 1.7 t -82.73 132.86 30.38 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 O-C-N 127.8 3.187 . . . . 10.0 110.539 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.15 -13.9 66.54 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 112.141 -2.3 . . . . 10.0 114.009 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 170.27 8.15 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 123.777 1.751 . . . . 10.0 109.918 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -81.67 118.49 22.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.015 -2.812 . . . . 10.0 107.7 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -99.5 148.18 24.52 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 112.592 -2.094 . . . . 10.0 115.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.83 77.77 1.14 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 112.984 -1.917 . . . . 10.0 112.684 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.65 139.2 13.01 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 126.087 2.117 . . . . 10.0 113.738 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -130.17 109.28 10.68 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 111.014 -2.812 . . . . 10.0 113.052 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.57 19.89 13.81 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 111.368 -2.651 . . . . 10.0 112.187 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.5 133.87 40.94 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.345 2.278 . . . . 10.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.487 ' C ' HD12 ' A' ' 77' ' ' ILE . . . 114.99 -22.49 12.39 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-O 125.954 2.974 . . . . 10.0 108.56 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.566 HG22 ' N ' ' A' ' 78' ' ' ASP . 1.5 mp -101.7 -68.68 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.713 -2.244 . . . . 10.0 109.464 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.566 ' N ' HG22 ' A' ' 77' ' ' ILE . 37.2 t70 -124.3 3.77 8.47 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 126.412 2.32 . . . . 10.0 112.709 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.31 64.44 1.36 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-O 123.283 1.516 . . . . 10.0 108.81 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.93 164.48 29.88 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 111.094 -2.776 . . . . 10.0 108.299 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.81 133.03 0.2 Allowed 'General case' 0 C--O 1.209 -1.029 0 O-C-N 125.047 1.467 . . . . 10.0 110.484 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.0 m -146.4 175.96 10.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 O-C-N 126.882 2.614 . . . . 10.0 110.679 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.8 mtm -80.87 155.62 26.47 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 111.139 -2.755 . . . . 10.0 108.111 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -154.6 160.82 41.7 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 110.914 -2.857 . . . . 10.0 113.479 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.3 131.02 8.97 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 124.2 1.953 . . . . 10.0 111.281 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.924 HG11 HG22 ' A' ' 66' ' ' VAL . 89.9 t -99.19 148.23 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-N 110.864 -2.88 . . . . 10.0 110.084 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.3 p -157.04 -177.6 6.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 113.536 -1.665 . . . . 10.0 113.123 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -118.83 137.54 53.34 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 110.704 -2.953 . . . . 10.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.5 39.71 2.44 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 111.794 -2.457 . . . . 10.0 111.238 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.8 -98.77 0.38 Allowed Glycine 0 C--O 1.219 -0.79 0 CA-C-O 125.089 2.494 . . . . 10.0 110.785 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.15 -51.68 2.84 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 110.973 -2.614 . . . . 10.0 108.797 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.498 ' CG ' ' HB2' ' A' ' 109' ' ' TRP . 0.2 OUTLIER -57.39 153.25 12.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 111.53 -2.577 . . . . 10.0 113.896 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 93' ' ' LEU . 7.5 tt -104.45 85.43 2.35 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 111.221 -2.718 . . . . 10.0 107.714 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.91 149.82 23.15 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 110.423 -3.081 . . . . 10.0 113.724 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.671 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -146.12 123.22 11.46 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 112.676 -2.057 . . . . 10.0 111.395 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.23 146.68 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 112.176 -2.284 . . . . 10.0 109.367 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -110.83 133.26 53.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -96.84 29.06 3.17 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 127.937 3.273 . . . . 10.0 115.374 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.25 -177.86 4.22 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 112.756 -2.02 . . . . 10.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.83 -10.31 24.94 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.644 1.688 . . . . 10.0 111.827 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -83.16 -168.18 1.98 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 110.832 -2.895 . . . . 10.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -132.9 119.34 20.05 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.521 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.61 -28.77 6.34 Favored Glycine 0 C--N 1.332 0.337 0 N-CA-C 109.87 -1.292 . . . . 10.0 109.87 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.41 135.58 21.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.088 1.423 . . . . 10.0 111.406 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.29 140.67 2.94 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-N 111.999 -2.364 . . . . 10.0 111.515 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.458 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -104.11 158.83 16.16 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 112.348 -1.926 . . . . 10.0 114.829 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -159.36 146.49 16.97 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.336 -2.665 . . . . 10.0 112.086 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -167.33 148.55 5.64 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.415 -1.266 . . . . 10.0 113.441 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.498 ' HB2' ' CG ' ' A' ' 92' ' ' LYS . 13.1 t-105 -162.88 136.17 5.85 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 110.368 -3.106 . . . . 10.0 109.114 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 47.9 mt -94.82 130.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 O-C-N 127.058 2.724 . . . . 10.0 114.804 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 98.14 5.62 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 111.375 -2.648 . . . . 10.0 109.174 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.01 -118.43 5.37 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 111.303 -2.68 . . . . 10.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -111.91 42.6 1.71 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 114.107 -1.047 . . . . 10.0 111.63 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -150.93 133.7 15.77 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.27 -1.332 . . . . 10.0 114.308 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.736 HD13 ' CE3' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -92.77 112.92 25.04 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 112.612 -2.085 . . . . 10.0 110.006 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -124.16 92.99 3.78 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 124.257 1.98 . . . . 10.0 114.479 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 118' ' ' GLU . 3.0 pp -90.81 173.62 7.9 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 122.747 1.26 . . . . 10.0 108.985 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 117' ' ' LEU . 28.5 mt-10 -140.86 92.1 2.47 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 110.854 -2.885 . . . . 10.0 111.923 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mtp -86.77 138.08 31.9 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 113.026 -1.897 . . . . 10.0 111.798 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 59.6 mtt180 -134.01 162.62 31.58 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 127.724 3.14 . . . . 10.0 110.282 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 165.4 133.7 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 125.529 1.768 . . . . 10.0 111.653 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.661 ' HB2' ' HB1' ' A' ' 22' ' ' ALA . 1.9 mm-40 55.37 36.25 26.7 Favored 'General case' 0 CA--C 1.5 -0.957 0 O-C-N 126.536 2.397 . . . . 10.0 114.41 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.02 20.04 78.71 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 114.922 -1.035 . . . . 10.0 111.529 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.63 136.13 54.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.999 1.646 . . . . 10.0 109.139 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 25.6 m -116.19 141.27 48.36 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 126.193 2.183 . . . . 10.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.1 149.06 29.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 125.602 1.814 . . . . 10.0 109.225 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 122.68 16.96 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 113.527 -1.67 . . . . 10.0 114.22 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.2 136.65 39.77 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 125.961 2.038 . . . . 10.0 108.46 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.42 94.72 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-O 125.854 2.74 . . . . 10.0 110.996 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.74 170.14 10.69 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 111.539 -2.573 . . . . 10.0 111.782 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -154.39 135.57 13.98 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.991 -1.459 . . . . 10.0 113.966 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -59.11 153.38 18.15 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 114.121 -1.399 . . . . 10.0 111.165 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 t -134.16 -52.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 CA-C-N 113.765 -1.561 . . . . 10.0 110.331 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.506 -0.721 0 CA-C-O 115.131 -2.366 . . . . 10.0 108.527 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 114.071 1.137 . . . . 10.0 114.071 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -103.21 -5.29 23.29 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.302 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -61.18 153.09 26.9 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 125.136 2.398 . . . . 10.0 110.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 114.7 -173.67 14.95 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 112.456 -2.156 . . . . 10.0 110.06 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.451 ' CD1' ' HG2' ' A' ' 41' ' ' GLU . 8.0 m-85 -115.38 121.93 44.29 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 114.351 -0.925 . . . . 10.0 112.867 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.736 ' CD2' HD13 ' A' ' 115' ' ' LEU . 4.8 m0 -105.97 112.39 25.41 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 126.657 2.473 . . . . 10.0 111.719 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HB3' HG21 ' A' ' 133' ' ' VAL . 13.6 pttp -93.39 148.32 22.16 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttm -90.82 144.23 25.92 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 123.644 1.688 . . . . 10.0 113.752 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -108.03 -39.87 5.39 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 111.339 -2.664 . . . . 10.0 112.368 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -171.57 -179.0 2.42 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 112.912 -1.949 . . . . 10.0 111.184 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.46 147.43 19.01 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 112.681 -2.054 . . . . 10.0 110.322 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -117.87 138.24 52.25 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 113.225 -1.807 . . . . 10.0 112.979 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 61.03 34.05 19.42 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 123.317 1.532 . . . . 10.0 109.703 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.778 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 11.3 t80 -69.59 -41.04 76.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 113.723 -1.581 . . . . 10.0 111.853 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.87 -29.84 62.32 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.958 -0.565 . . . . 10.0 112.01 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.31 -30.07 60.24 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 125.419 1.699 . . . . 10.0 111.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CZ ' ' HE1' ' A' ' 119' ' ' MET . 0.5 OUTLIER -73.32 -30.61 63.48 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 110.753 -2.93 . . . . 10.0 112.833 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.6 -40.47 56.45 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 125.921 2.013 . . . . 10.0 111.683 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -21.55 63.92 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.383 2.302 . . . . 10.0 113.9 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.15 58.48 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.997 -2.365 . . . . 10.0 112.672 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -97.75 20.1 12.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 O-C-N 125.454 1.721 . . . . 10.0 114.184 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 57.76 43.35 22.07 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 113.392 -1.731 . . . . 10.0 114.158 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 29' ' ' LEU . 5.6 t -78.95 150.97 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 CA-C-N 111.052 -2.795 . . . . 10.0 113.72 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -67.96 151.16 47.54 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-O 123.655 1.693 . . . . 10.0 112.431 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -67.26 -21.86 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 114.915 1.45 . . . . 10.0 114.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.17 53.78 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 110.784 -2.916 . . . . 10.0 110.365 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -77.28 -22.68 51.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 111.89 -2.414 . . . . 10.0 109.995 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -30.26 42.43 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.067 2.729 . . . . 10.0 111.731 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -69.72 -38.42 76.89 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 110.544 -3.026 . . . . 10.0 113.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.62 HG23 ' CZ ' ' A' ' 57' ' ' PHE . 45.8 mt -77.08 -25.13 15.33 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 111.868 -2.424 . . . . 10.0 111.986 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -71.4 -31.06 66.83 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 125.344 2.497 . . . . 10.0 113.569 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.32 -26.71 61.16 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 111.025 -2.807 . . . . 10.0 113.21 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -104.33 14.44 30.22 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 110.421 -3.081 . . . . 10.0 112.158 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mt -98.79 128.18 44.94 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 114.169 -1.378 . . . . 10.0 112.407 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -143.28 64.53 14.12 Favored Pre-proline 0 N--CA 1.449 -0.522 0 CA-C-N 113.777 -1.556 . . . . 10.0 113.062 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -74.85 152.3 41.38 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-N 114.308 -0.997 . . . . 10.0 114.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.22 120.24 41.8 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 110.353 -3.112 . . . . 10.0 108.3 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -82.35 156.47 24.22 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 124.891 2.282 . . . . 10.0 110.671 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' HG2' ' CD1' ' A' ' 7' ' ' TYR . 70.5 mt-10 -140.06 103.76 4.69 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 110.272 -3.149 . . . . 10.0 110.618 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.503 HD12 ' CH2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -100.67 147.41 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 CA-C-N 110.621 -2.99 . . . . 10.0 110.792 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -150.03 90.97 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 O-C-N 128.614 3.696 . . . . 10.0 113.186 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -86.55 118.0 25.69 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 110.007 -3.269 . . . . 10.0 108.407 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -119.01 42.45 2.81 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.617 -1.174 . . . . 10.0 113.846 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.9 106.73 0.21 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 108.92 -1.672 . . . . 10.0 108.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 70.56 -66.13 0.3 Allowed 'General case' 0 C--N 1.343 0.316 0 O-C-N 125.523 1.367 . . . . 10.0 108.26 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.57 149.77 45.56 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 126.403 2.314 . . . . 10.0 109.201 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 ttp -153.53 153.02 31.61 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 127.512 3.007 . . . . 10.0 111.948 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 146.24 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 127.282 2.864 . . . . 10.0 109.829 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.7 mt -137.2 100.58 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.668 1.187 . . . . 10.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -103.96 112.78 25.9 Favored 'General case' 0 C--O 1.208 -1.079 0 O-C-N 128.922 3.889 . . . . 10.0 114.58 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 m -98.8 108.91 21.72 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 124.111 1.91 . . . . 10.0 109.164 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.49 93.66 7.33 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 110.733 -2.939 . . . . 10.0 114.703 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.02 41.17 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 110.628 -2.987 . . . . 10.0 108.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -88.42 54.72 3.14 Favored 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 125.595 1.809 . . . . 10.0 112.876 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.62 ' CZ ' HG23 ' A' ' 32' ' ' ILE . 32.4 m-85 -143.85 -71.45 0.29 Allowed 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 127.406 2.941 . . . . 10.0 112.281 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 4.98 1.98 Allowed 'General case' 0 CA--C 1.494 -1.183 0 C-N-CA 116.998 -1.881 . . . . 10.0 115.645 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.3 172.74 0.13 Allowed 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 117.315 -1.754 . . . . 10.0 113.651 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 177.3 105.71 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.847 1.785 . . . . 10.0 112.305 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.93 138.99 53.14 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 CA-C-N 113.855 -1.52 . . . . 10.0 112.92 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 mtp -146.56 158.37 43.89 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.181 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.4 46.64 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 125.269 1.605 . . . . 10.0 107.962 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.29 93.86 4.34 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 115.589 1.7 . . . . 10.0 115.589 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.3 93.35 1.48 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 113.255 -1.793 . . . . 10.0 108.481 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.32 133.65 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 CA-C-N 114.616 -1.174 . . . . 10.0 113.804 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.39 -15.13 62.02 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 127.501 3.001 . . . . 10.0 113.982 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -106.67 154.0 21.58 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 125.352 1.266 . . . . 10.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.7 126.4 52.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.082 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -142.06 176.62 8.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.731 -1.122 . . . . 10.0 113.258 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.22 156.79 33.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 114.921 -1.036 . . . . 10.0 111.657 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' OE2' HD21 ' A' ' 74' ' ' LEU . 1.1 tp10 -136.43 100.95 4.51 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 125.799 1.937 . . . . 10.0 108.855 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.36 111.31 23.67 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 115.112 1.523 . . . . 10.0 115.112 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.439 HD21 ' OE2' ' A' ' 72' ' ' GLU . 23.0 mt -113.32 56.9 0.68 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.051 -1.886 . . . . 10.0 109.167 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.8 15.97 10.21 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 112.551 -2.113 . . . . 10.0 114.123 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.675 ' O ' HD13 ' A' ' 77' ' ' ILE . . . -131.32 12.33 5.5 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 113.66 -1.609 . . . . 10.0 110.781 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -132.51 -61.71 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.02 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.97 15.3 1.72 Allowed 'General case' 0 CA--C 1.502 -0.887 0 O-C-N 127.713 3.133 . . . . 10.0 113.647 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 37.16 87.97 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 O-C-N 125.876 1.985 . . . . 10.0 114.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -58.69 2.12 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.628 1.344 . . . . 10.0 114.628 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mttt 68.99 107.34 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 128.937 3.898 . . . . 10.0 108.468 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.8 -168.13 2.9 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 126.728 2.518 . . . . 10.0 112.556 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mmt -124.82 147.39 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 125.14 1.525 . . . . 10.0 107.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 96' ' ' VAL . 10.6 m -143.18 143.39 31.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 124.622 2.153 . . . . 10.0 113.557 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.1 m -141.22 132.67 26.84 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.011 -2.359 . . . . 10.0 110.059 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.1 t -100.92 115.47 42.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 127.853 3.221 . . . . 10.0 110.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.31 137.38 46.39 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 113.499 -1.682 . . . . 10.0 109.136 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 116.08 21.43 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 127.209 2.818 . . . . 10.0 108.159 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.8 -4.87 15.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 127.864 3.227 . . . . 10.0 111.8 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.41 138.32 3.92 Favored Glycine 0 C--O 1.218 -0.869 0 O-C-N 125.092 1.495 . . . . 10.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.89 -74.44 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 125.853 1.561 . . . . 10.0 111.472 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.16 146.63 24.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.386 2.929 . . . . 10.0 108.29 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.46 145.56 24.41 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 125.855 1.972 . . . . 10.0 111.966 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -123.42 122.09 37.4 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 126.313 2.258 . . . . 10.0 112.777 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.2 m -124.38 92.53 3.68 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 114.263 -1.335 . . . . 10.0 109.09 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 84' ' ' THR . 76.2 t -90.76 139.54 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 124.54 1.15 . . . . 10.0 111.026 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 104' ' ' ARG . 9.3 tt0 -115.53 109.26 17.55 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.343 -2.208 . . . . 10.0 108.849 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.19 108.49 16.47 Favored 'General case' 0 C--O 1.207 -1.154 0 CA-C-O 122.905 1.335 . . . . 10.0 114.211 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.42 -137.15 3.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 110.719 -2.946 . . . . 10.0 111.704 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.12 -43.09 3.61 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 113.457 -1.372 . . . . 10.0 114.232 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.0 169.98 15.81 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 125.889 1.993 . . . . 10.0 113.82 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -84.95 165.39 17.65 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 109.842 -3.345 . . . . 10.0 109.694 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.01 -98.05 2.11 Favored Glycine 0 C--O 1.213 -1.183 0 CA-C-N 111.315 -2.675 . . . . 10.0 109.717 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER 25.72 69.95 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.781 1 O-C-N 130.046 4.027 . . . . 10.0 111.994 -179.981 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.89 111.17 0.39 Allowed Glycine 0 C--N 1.351 1.371 0 CA-C-N 111.528 -2.578 . . . . 10.0 114.461 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.697 ' CE3' HD21 ' A' ' 117' ' ' LEU . 10.7 m0 -90.32 138.02 31.87 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 124.995 2.331 . . . . 10.0 112.968 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.93 115.0 22.9 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 112.193 -2.276 . . . . 10.0 112.069 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -89.02 152.27 21.79 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.932 -1.94 . . . . 10.0 110.978 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -161.42 96.53 1.07 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.513 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.06 152.13 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 113.376 -1.738 . . . . 10.0 109.993 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -160.2 97.43 1.25 Allowed 'General case' 0 C--N 1.345 0.38 0 CA-C-N 114.037 -1.438 . . . . 10.0 112.398 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 58.39 -104.14 0.44 Allowed Glycine 0 C--O 1.207 -1.541 0 O-C-N 126.238 2.211 . . . . 10.0 113.329 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.08 42.97 3.07 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.307 1.527 . . . . 10.0 110.042 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -157.37 127.39 6.25 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 111.835 -2.439 . . . . 10.0 113.058 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.736 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -103.53 104.8 14.9 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 113.208 -1.814 . . . . 10.0 109.512 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -91.74 80.94 5.26 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.334 0.865 . . . . 10.0 113.334 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.697 HD21 ' CE3' ' A' ' 106' ' ' TRP . 1.1 tp -81.51 141.21 34.03 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-O 125.763 2.696 . . . . 10.0 113.648 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -106.98 109.58 21.51 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 109.753 -3.385 . . . . 10.0 108.292 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.53 ' HG3' ' CZ2' ' A' ' 106' ' ' TRP . 0.8 OUTLIER -107.43 119.68 40.09 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 125.575 1.797 . . . . 10.0 115.112 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -115.89 142.52 46.67 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.775 -1.557 . . . . 10.0 109.899 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -167.59 105.9 0.53 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.491 -1.231 . . . . 10.0 112.672 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.48 36.67 2.17 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 110.234 -3.166 . . . . 10.0 114.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.58 -1.12 89.19 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 112.716 -2.038 . . . . 10.0 111.615 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.65 123.13 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 C-N-CA 118.87 -1.132 . . . . 10.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 74.3 m -91.84 122.07 34.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.691 2.495 . . . . 10.0 112.818 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 130.25 41.3 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 127.638 3.086 . . . . 10.0 109.306 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -119.68 114.73 22.63 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 123.717 1.722 . . . . 10.0 114.109 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -93.64 140.29 29.8 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 113.936 -1.484 . . . . 10.0 108.589 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.42 114.08 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 CA-C-N 113.514 -1.676 . . . . 10.0 114.648 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.45 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 10.0 m-30 -101.21 175.52 5.56 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.62 -0.832 . . . . 10.0 112.123 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.464 ' HB2' HD12 ' A' ' 11' ' ' LEU . 10.4 tptm -154.33 109.62 3.13 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 122.984 1.374 . . . . 10.0 108.814 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -55.25 108.42 0.41 Allowed 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.418 -1.719 . . . . 10.0 113.474 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 9' ' ' LYS . 23.6 t -81.59 -24.75 9.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 126.802 2.564 . . . . 10.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 113.541 -3.123 . . . . 10.0 111.944 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 CA--C 1.499 -1.008 0 CA-C-O 126.645 3.117 . . . . 10.0 113.059 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 93' ' ' LEU . 1.5 m-85 -99.97 -7.75 24.77 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.839 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.39 142.42 55.43 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 125.449 1.718 . . . . 10.0 110.466 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.75 -158.13 27.58 Favored Glycine 0 CA--C 1.497 -1.033 0 CA-C-N 111.288 -2.687 . . . . 10.0 113.015 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 41' ' ' GLU . 3.1 m-85 -130.34 99.36 5.0 Favored 'General case' 0 CA--C 1.496 -1.135 0 O-C-N 127.02 2.247 . . . . 10.0 113.094 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.762 ' CD2' HD13 ' A' ' 115' ' ' LEU . 1.1 m0 -98.0 135.82 39.16 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 123.814 1.768 . . . . 10.0 110.074 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.99 157.27 38.26 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 110.831 -2.895 . . . . 10.0 108.822 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -55.11 179.99 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 127.608 3.068 . . . . 10.0 114.047 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -162.37 -51.98 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.276 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -164.15 165.84 21.77 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 125.603 1.814 . . . . 10.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.34 117.33 27.5 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 111.51 -2.586 . . . . 10.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.74 129.01 54.3 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.694 -1.593 . . . . 10.0 112.492 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 47.3 37.75 6.29 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 125.476 1.735 . . . . 10.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.616 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 29.6 t80 -78.86 -21.35 47.66 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-N 113.649 -1.614 . . . . 10.0 111.658 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.67 -45.85 28.02 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 114.115 1.154 . . . . 10.0 114.115 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -21.87 64.38 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.048 2.832 . . . . 10.0 113.849 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 80.1 t80 -75.78 -30.23 59.04 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 111.832 -2.44 . . . . 10.0 114.412 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' HG11 ' A' ' 25' ' ' VAL . 42.5 mt -74.05 -28.75 61.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 128.972 3.92 . . . . 10.0 113.022 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -72.99 -22.37 60.69 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 110.423 -3.08 . . . . 10.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.5 67.49 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.127 1.517 . . . . 10.0 114.359 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.69 12.73 34.4 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 112.491 -2.14 . . . . 10.0 114.459 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 49.38 30.96 3.55 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 124.089 1.9 . . . . 10.0 114.487 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.425 HG11 ' HB3' ' A' ' 20' ' ' LEU . 1.2 p -62.42 147.33 11.69 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 CA-C-N 111.998 -2.364 . . . . 10.0 110.652 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.54 149.07 14.35 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.025 2.703 . . . . 10.0 111.41 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.77 -26.05 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 111.315 -2.675 . . . . 10.0 114.142 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.02 -41.58 61.61 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 125.457 2.551 . . . . 10.0 112.475 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.3 tp -71.51 -29.59 64.96 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 112.323 -2.217 . . . . 10.0 112.823 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -74.37 -24.37 59.13 Favored 'General case' 0 CA--C 1.514 -0.422 0 O-C-N 126.35 2.281 . . . . 10.0 110.273 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -78.21 -39.83 39.31 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 110.793 -2.912 . . . . 10.0 109.43 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.561 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mt -74.51 -36.59 42.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 126.971 2.669 . . . . 10.0 112.978 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -69.15 -21.65 63.99 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.367 1.247 . . . . 10.0 114.367 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.84 -29.49 64.46 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 127.454 2.971 . . . . 10.0 109.836 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.6 mt -89.6 -24.77 21.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD12 ' HD3' ' A' ' 38' ' ' PRO . 4.0 pp -96.66 166.42 11.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 126.572 2.42 . . . . 10.0 114.983 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -150.92 102.11 3.03 Favored Pre-proline 0 C--O 1.214 -0.802 0 O-C-N 128.611 3.694 . . . . 10.0 107.684 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HD3' HD12 ' A' ' 36' ' ' LEU . 9.2 Cg_endo -77.05 147.8 26.97 Favored 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-O 126.746 2.728 . . . . 10.0 115.539 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -108.23 128.55 54.82 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 110.13 -3.214 . . . . 10.0 109.019 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HB3' HD11 ' A' ' 42' ' ' ILE . 7.3 mttt -107.26 144.42 34.09 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 7' ' ' TYR . 8.9 mt-10 -125.22 101.71 7.12 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 112.264 -2.244 . . . . 10.0 108.496 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.524 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 4.6 mp -106.71 142.86 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.867 0 CA-C-O 124.588 2.137 . . . . 10.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.31 139.38 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 CA-C-N 109.963 -3.29 . . . . 10.0 111.388 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -128.88 102.09 6.38 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.871 -2.877 . . . . 10.0 108.816 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -88.44 -33.16 17.95 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 114.335 -1.302 . . . . 10.0 111.363 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.49 -92.91 0.09 OUTLIER Glycine 0 C--O 1.211 -1.288 0 O-C-N 127.052 2.72 . . . . 10.0 113.033 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.72 -45.79 27.98 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.855 -2.672 . . . . 10.0 110.723 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -89.3 164.04 15.09 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.836 -2.438 . . . . 10.0 112.825 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.7 ttm -156.08 102.59 2.15 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.104 -1.407 . . . . 10.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 50' ' ' ILE . 21.7 mt -87.22 136.14 23.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 125.746 1.904 . . . . 10.0 110.098 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mt -114.81 128.9 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 128.39 3.556 . . . . 10.0 110.291 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -117.7 123.53 46.3 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 111.214 -2.721 . . . . 10.0 110.144 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -119.77 118.38 30.69 Favored 'General case' 0 CA--C 1.494 -1.203 0 O-C-N 128.441 3.588 . . . . 10.0 108.897 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.29 90.9 3.5 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.191 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.0 p -103.17 0.59 31.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 124.412 2.054 . . . . 10.0 109.783 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 57' ' ' PHE . 0.8 OUTLIER 72.48 -61.58 0.49 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 111.827 -2.442 . . . . 10.0 110.106 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.612 ' N ' HG22 ' A' ' 56' ' ' THR . 0.5 OUTLIER -49.57 -46.61 49.14 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 123.988 1.851 . . . . 10.0 110.82 179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.01 107.48 2.08 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 113.381 -1.736 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -83.14 140.86 32.36 Favored 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 126.097 2.123 . . . . 10.0 109.829 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.446 ' C ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -116.8 115.8 26.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 113.576 -1.647 . . . . 10.0 110.4 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 61' ' ' ILE . 4.2 mp -129.66 118.91 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.818 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 mtt -137.25 157.92 45.56 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 110.47 -3.059 . . . . 10.0 108.337 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -112.13 95.14 5.29 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 125.801 2.715 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.9 150.34 46.86 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 110.691 -2.959 . . . . 10.0 111.547 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' A' ' 68' ' ' LYS . 31.5 mt-30 -137.74 109.02 6.85 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 112.189 -2.278 . . . . 10.0 111.011 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.82 122.48 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 O-C-N 127.727 3.142 . . . . 10.0 113.371 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.77 -2.85 87.75 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 112.927 -1.942 . . . . 10.0 114.473 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 65' ' ' GLN . 1.2 ttmt -114.31 147.58 38.86 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.259 1.028 . . . . 10.0 111.347 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.87 141.73 28.1 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 112.972 -1.922 . . . . 10.0 113.759 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 20.9 p90 -161.35 163.7 30.54 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 126.775 2.547 . . . . 10.0 110.556 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.78 158.79 35.47 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.281 1.613 . . . . 10.0 112.811 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.62 96.3 3.13 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 111.306 -2.679 . . . . 10.0 111.95 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.81 107.9 19.57 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 110.813 -2.903 . . . . 10.0 112.602 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASP . 16.5 mt -102.94 62.05 0.8 Allowed 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 109.893 -3.321 . . . . 10.0 112.305 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -104.33 24.74 11.09 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 125.317 2.484 . . . . 10.0 112.714 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.16 17.63 5.36 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 109.886 -3.324 . . . . 10.0 109.757 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 77' ' ' ILE . 33.1 mt -151.06 -60.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 112.92 -1.64 . . . . 10.0 114.336 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -131.74 -1.37 3.81 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 115.836 1.791 . . . . 10.0 115.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' LEU . 18.3 m-20 51.59 95.24 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 124.167 1.937 . . . . 10.0 114.711 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.08 128.08 0.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 110.642 -2.981 . . . . 10.0 112.126 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -90.83 135.6 33.62 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 125.401 1.688 . . . . 10.0 112.379 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.6 m -147.21 171.55 15.2 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 112.83 -1.986 . . . . 10.0 111.843 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 mtp -115.46 151.62 34.44 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.81 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 m -132.56 147.22 52.35 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.32 127.14 23.77 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 124.502 1.121 . . . . 10.0 109.709 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.1 t -103.02 136.43 35.65 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 125.541 2.591 . . . . 10.0 109.87 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.81 147.25 33.84 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 111.018 -2.81 . . . . 10.0 112.191 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -95.83 153.57 17.68 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 113.932 -1.485 . . . . 10.0 109.732 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -123.57 -57.53 1.64 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 113.752 -1.567 . . . . 10.0 112.671 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.53 83.63 0.1 Allowed Glycine 0 C--O 1.21 -1.405 0 O-C-N 126.571 2.42 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 52.96 32.71 13.16 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.356 -2.422 . . . . 10.0 111.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -142.17 122.95 14.32 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 127.624 3.078 . . . . 10.0 108.688 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 93' ' ' LEU . 9.4 tt -88.95 107.69 19.16 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 126.531 2.394 . . . . 10.0 110.223 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.89 165.5 11.15 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 125.827 1.954 . . . . 10.0 110.435 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.8 t -137.2 104.66 5.47 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 125.597 1.811 . . . . 10.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 96' ' ' VAL . 24.6 t -99.99 100.86 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 109.823 -3.353 . . . . 10.0 113.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -103.29 114.55 28.93 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 111.202 -2.726 . . . . 10.0 107.986 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -64.21 -64.46 0.88 Allowed 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.131 1.52 . . . . 10.0 112.422 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 44.42 -142.65 2.87 Favored Glycine 0 N--CA 1.471 1.026 0 O-C-N 124.89 1.369 . . . . 10.0 112.814 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -113.56 148.43 36.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 113.437 -1.382 . . . . 10.0 112.93 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt 68.92 179.11 0.24 Allowed 'General case' 0 C--O 1.217 -0.608 0 O-C-N 128.09 3.368 . . . . 10.0 109.57 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.76 163.87 12.63 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 126.692 2.495 . . . . 10.0 109.643 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.01 -40.88 2.27 Favored Glycine 0 C--N 1.346 1.098 0 O-C-N 125.526 1.766 . . . . 10.0 112.644 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -39.89 130.33 2.02 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.096 1.704 . . . . 10.0 112.213 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.93 141.97 6.19 Favored Glycine 0 CA--C 1.497 -1.054 0 O-C-N 126.672 2.483 . . . . 10.0 112.22 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -117.32 -177.65 3.27 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 126.888 3.232 . . . . 10.0 114.135 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.61 146.61 19.66 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 110.605 -2.998 . . . . 10.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 162.26 32.51 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.89 -2.868 . . . . 10.0 110.069 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -170.06 119.69 0.61 Allowed 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 112.992 -1.913 . . . . 10.0 110.376 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 79.9 mt -87.64 109.02 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.67 -1.15 . . . . 10.0 113.477 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.39 118.29 26.37 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 127.862 3.226 . . . . 10.0 114.308 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 56.64 -100.93 0.12 Allowed Glycine 0 C--N 1.345 1.063 0 CA-C-N 111.695 -2.502 . . . . 10.0 111.202 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.94 31.11 4.23 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-O 124.085 1.897 . . . . 10.0 112.234 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -125.31 165.0 19.13 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.02 -2.354 . . . . 10.0 109.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.762 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.31 75.9 1.46 Allowed 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 128.351 3.532 . . . . 10.0 109.227 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -69.33 115.98 9.23 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.105 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.69 123.34 48.07 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 111.161 -2.745 . . . . 10.0 108.193 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.44 100.72 8.99 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 127.757 3.161 . . . . 10.0 111.521 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 25.4 mtp -90.37 138.25 31.7 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 127.341 2.901 . . . . 10.0 110.342 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 mtp-105 -129.18 140.99 51.29 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 126.49 2.369 . . . . 10.0 109.152 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -176.27 121.9 0.16 Allowed 'General case' 0 C--O 1.215 -0.724 0 O-C-N 125.352 1.657 . . . . 10.0 112.815 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.59 25.66 13.18 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 111.313 -2.676 . . . . 10.0 112.125 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.69 9.21 87.06 Favored Glycine 0 CA--C 1.499 -0.908 0 CA-C-N 113.532 -1.667 . . . . 10.0 112.693 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.28 139.74 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 112.796 -1.702 . . . . 10.0 108.467 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 m -110.48 127.61 55.23 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 125.412 1.695 . . . . 10.0 115.03 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 36.5 t -136.26 125.05 23.94 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.027 -2.806 . . . . 10.0 109.004 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -117.29 83.83 2.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.168 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -69.5 136.57 51.62 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 118.335 -1.346 . . . . 10.0 107.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.91 149.37 12.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 CA-C-O 126.498 3.047 . . . . 10.0 113.815 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -149.83 133.52 16.78 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 109.925 -3.307 . . . . 10.0 111.368 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 2.3 tptm -112.5 104.75 12.86 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.524 1.765 . . . . 10.0 114.969 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 131.51 50.22 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.28 -1.327 . . . . 10.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.57 -41.76 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 N-CA-C 114.99 1.478 . . . . 10.0 114.99 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 . . . . . 0 C--O 1.259 1.589 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.213 -179.771 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.199 0.999 . . . . 10.0 113.338 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.73 -11.95 52.35 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 112.585 -2.098 . . . . 10.0 111.378 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -63.52 114.3 3.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 113.458 -1.701 . . . . 10.0 109.618 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.57 -156.27 26.49 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 111.348 -2.66 . . . . 10.0 111.522 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -124.35 100.55 6.74 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 111.539 -2.33 . . . . 10.0 108.673 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CZ3' HD12 ' A' ' 115' ' ' LEU . 7.1 m95 -104.53 121.66 43.94 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 119.922 -0.711 . . . . 10.0 111.661 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -95.2 173.35 7.6 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.826 -1.988 . . . . 10.0 108.753 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mtm -125.57 124.53 41.47 Favored 'General case' 0 C--O 1.211 -0.937 1 O-C-N 130.049 4.593 . . . . 10.0 108.2 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.6 mm? -110.02 -40.34 4.77 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.205 2.907 . . . . 10.0 115.398 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.0 p -135.88 170.02 16.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 109.473 -3.512 . . . . 10.0 114.821 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.51 176.24 8.14 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 110.91 -2.859 . . . . 10.0 108.438 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -147.92 -53.48 0.2 Allowed 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.933 2.646 . . . . 10.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -134.58 35.14 3.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 128.34 3.525 . . . . 10.0 114.511 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.608 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 12.7 t80 -68.33 -25.2 64.99 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 125.704 2.668 . . . . 10.0 114.349 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.81 -35.94 62.46 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.572 -2.104 . . . . 10.0 109.307 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -25.03 44.56 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-O 123.972 1.844 . . . . 10.0 113.519 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.45 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 66.4 t80 -73.02 -24.74 60.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.738 -2.483 . . . . 10.0 113.874 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 74.7 mt -79.58 -33.34 41.78 Favored 'General case' 0 CA--C 1.493 -1.223 0 CA-C-O 124.181 1.944 . . . . 10.0 112.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -25.38 62.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 123.857 1.789 . . . . 10.0 110.266 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.19 62.66 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.23 6.69 17.54 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 124.682 1.239 . . . . 10.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.97 84.31 0.11 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 125.061 2.362 . . . . 10.0 112.16 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 20' ' ' LEU . 35.8 t -116.65 144.5 24.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 113.379 -1.737 . . . . 10.0 109.646 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' O ' HG12 ' A' ' 25' ' ' VAL . 35.9 m120 -61.99 154.9 25.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.93 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.2 -25.61 34.3 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-O 124.303 2.001 . . . . 10.0 114.733 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -76.77 -31.31 56.96 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.012 -2.358 . . . . 10.0 114.129 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.05 -23.32 44.32 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 111.144 -2.753 . . . . 10.0 112.005 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -76.98 -24.06 52.28 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -34.49 59.21 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 124.605 1.19 . . . . 10.0 110.812 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.2 mt -78.01 -27.09 14.77 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 CA-C-O 124.189 1.947 . . . . 10.0 112.152 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -76.33 -24.29 54.28 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 111.522 -2.581 . . . . 10.0 112.11 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -80.04 -32.46 39.46 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.002 2.81 . . . . 10.0 108.928 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 mt -81.79 -0.33 42.72 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 111.379 -2.646 . . . . 10.0 111.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.1 mt -104.63 130.36 52.65 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 123.403 1.573 . . . . 10.0 113.287 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -152.72 63.25 4.79 Favored Pre-proline 0 C--O 1.208 -1.089 0 CA-C-N 113.131 -1.849 . . . . 10.0 109.518 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 172.63 13.94 Favored 'Trans proline' 0 CA--C 1.498 -1.317 0 C-N-CA 122.572 2.181 . . . . 10.0 111.393 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.6 132.0 54.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 111.314 -2.675 . . . . 10.0 109.413 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -87.97 128.71 35.38 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 111.436 -2.62 . . . . 10.0 111.428 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -110.56 99.97 8.85 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 42' ' ' ILE . 7.2 mm -88.91 137.03 22.02 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-O 121.893 0.854 . . . . 10.0 112.558 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -137.56 73.89 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 111.782 -2.463 . . . . 10.0 111.414 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.83 146.04 33.91 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 125.841 2.734 . . . . 10.0 113.413 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -151.98 75.79 1.16 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-N 110.552 -3.022 . . . . 10.0 111.683 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.96 -91.59 0.01 OUTLIER Glycine 0 C--O 1.211 -1.32 0 CA-C-N 112.626 -2.079 . . . . 10.0 114.104 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.06 49.78 0.81 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.116 -0.542 . . . . 10.0 110.579 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.762 ' CE1' HD11 ' A' ' 50' ' ' ILE . 17.4 t-160 -175.42 111.11 0.12 Allowed 'General case' 0 C--N 1.349 0.573 0 O-C-N 128.017 3.323 . . . . 10.0 111.162 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.5 mtp -130.88 90.79 2.95 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.873 1.358 . . . . 10.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.762 HD11 ' CE1' ' A' ' 48' ' ' HIS . 57.5 mt -81.74 122.22 36.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 126.216 2.197 . . . . 10.0 113.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 64' ' ' PHE . 3.0 mt -108.68 123.95 64.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.112 0 CA-C-N 113.348 -1.751 . . . . 10.0 111.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -118.29 144.88 45.48 Favored 'General case' 0 C--O 1.212 -0.868 0 CA-C-N 111.753 -2.476 . . . . 10.0 112.681 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -123.0 98.58 5.96 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 109.708 -3.406 . . . . 10.0 110.436 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -89.71 88.77 7.51 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 113.824 -1.534 . . . . 10.0 112.448 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 p -97.77 -43.01 7.33 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 127.603 3.064 . . . . 10.0 112.278 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 93.87 9.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.703 1 O-C-N 129.551 4.282 . . . . 10.0 111.636 179.907 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -59.38 2.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 109.8 -3.364 . . . . 10.0 109.701 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -156.2 49.38 0.5 Allowed 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.344 -3.116 . . . . 10.0 111.013 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -10.57 107.24 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.669 1 O-C-N 129.7 4.375 . . . . 10.0 115.044 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.38 111.43 23.78 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 113.112 -1.858 . . . . 10.0 114.835 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.75 126.41 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 113.488 -1.687 . . . . 10.0 109.788 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.4 mtp -125.82 123.66 39.2 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.368 3.542 . . . . 10.0 114.59 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -92.53 71.51 5.07 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 126.563 2.415 . . . . 10.0 108.683 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -72.8 88.52 1.32 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 124.245 1.974 . . . . 10.0 113.854 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 44.4 mt-30 -90.14 116.78 28.41 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 113.052 -1.886 . . . . 10.0 109.119 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 124.09 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.71 0 CA-C-N 114.22 -1.355 . . . . 10.0 113.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 5.34 73.86 Favored Glycine 0 C--N 1.339 0.733 0 O-C-N 126.219 2.199 . . . . 10.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -112.6 141.57 46.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 112.338 -1.931 . . . . 10.0 111.259 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.24 137.37 48.07 Favored 'General case' 0 C--O 1.209 -1.049 0 O-C-N 126.697 2.498 . . . . 10.0 112.854 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 38.0 p90 -156.96 177.38 11.57 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 110.31 -3.132 . . . . 10.0 114.029 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.82 150.39 29.21 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 125.762 2.696 . . . . 10.0 114.244 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -114.63 146.79 40.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 111.319 -2.673 . . . . 10.0 109.666 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.47 106.32 10.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 110.415 -3.084 . . . . 10.0 111.648 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 77' ' ' ILE . 1.4 mp -97.04 37.23 1.33 Allowed 'General case' 0 C--O 1.21 -1.022 0 O-C-N 126.232 2.208 . . . . 10.0 110.45 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -0.14 19.6 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.943 -1.026 . . . . 10.0 113.634 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.64 19.8 6.99 Favored Glycine 0 C--O 1.219 -0.788 0 N-CA-C 108.66 -1.776 . . . . 10.0 108.66 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.7 HD12 ' HG ' ' A' ' 74' ' ' LEU . 11.3 mt -134.75 -60.84 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-O 123.434 1.587 . . . . 10.0 109.337 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.81 20.72 0.32 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.954 -1.93 . . . . 10.0 114.106 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 37.92 81.47 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 125.414 1.696 . . . . 10.0 114.214 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.479 ' HD2' ' CE ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -116.04 -60.46 1.86 Allowed 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 126.966 2.666 . . . . 10.0 113.969 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.99 107.22 0.07 Allowed 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 128.259 3.474 . . . . 10.0 110.481 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.456 ' HB3' ' HA3' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -133.37 -171.54 2.73 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 111.209 -2.723 . . . . 10.0 112.787 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 10.0 mtt -104.71 177.63 4.79 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.735 -2.938 . . . . 10.0 107.651 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.493 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -162.92 139.31 7.32 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 127.92 3.262 . . . . 10.0 113.678 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.68 148.97 30.68 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 109.783 -3.371 . . . . 10.0 109.441 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 64' ' ' PHE . 2.8 t -135.23 137.7 49.77 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 112.09 -2.323 . . . . 10.0 111.559 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -132.53 173.01 11.77 Favored 'General case' 0 C--O 1.217 -0.653 1 O-C-N 129.919 4.512 . . . . 10.0 110.009 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -130.03 120.82 25.32 Favored 'General case' 0 CA--C 1.506 -0.719 0 O-C-N 126.496 2.373 . . . . 10.0 112.573 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -119.85 94.99 4.58 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.246 -1.797 . . . . 10.0 113.983 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.75 -128.69 8.77 Favored Glycine 0 CA--C 1.5 -0.849 0 O-C-N 126.39 2.306 . . . . 10.0 111.102 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.64 28.52 5.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.252 -2.474 . . . . 10.0 110.083 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -131.4 167.3 19.53 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.609 -1.632 . . . . 10.0 109.464 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 108' ' ' GLN . 2.3 tp -132.07 128.9 39.2 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.307 -1.315 . . . . 10.0 111.384 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.83 140.29 34.62 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 126.493 2.371 . . . . 10.0 107.85 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 168.65 12.54 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 110.996 -2.82 . . . . 10.0 111.791 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.44 144.82 22.04 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 113.032 -1.895 . . . . 10.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -145.93 83.54 1.64 Allowed 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.599 -3.0 . . . . 10.0 109.91 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 113.12 21.69 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 125.029 2.347 . . . . 10.0 113.318 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' A' ' 82' ' ' CYS . . . -138.64 61.57 0.57 Allowed Glycine 0 C--O 1.211 -1.341 0 N-CA-C 107.913 -2.075 . . . . 10.0 107.913 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.28 83.71 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 124.071 1.891 . . . . 10.0 113.481 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.479 ' CE ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -166.34 171.2 12.31 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.964 -2.38 . . . . 10.0 111.479 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -106.82 129.48 54.66 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 128.008 3.317 . . . . 10.0 112.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 44.24 77.25 0.1 OUTLIER Glycine 0 C--O 1.208 -1.507 0 CA-C-O 126.017 3.01 . . . . 10.0 113.973 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -177.28 3.47 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 109.059 -3.57 . . . . 10.0 108.657 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.71 146.01 11.69 Favored Glycine 0 N--CA 1.472 1.096 0 CA-C-N 112.307 -2.224 . . . . 10.0 111.846 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -101.82 158.77 15.88 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 112.696 -1.752 . . . . 10.0 109.937 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.566 HG23 ' N ' ' A' ' 108' ' ' GLN . 0.4 OUTLIER -146.8 169.88 18.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.236 2.21 . . . . 10.0 108.842 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.613 ' HB2' HD23 ' A' ' 93' ' ' LEU . 2.3 mt-30 -149.82 149.7 30.9 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 126.355 2.285 . . . . 10.0 109.983 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -158.55 139.9 13.32 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 113.291 -1.777 . . . . 10.0 111.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.5 127.11 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 125.878 1.986 . . . . 10.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -98.75 -44.28 6.46 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.325 1.536 . . . . 10.0 114.159 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 155.23 100.75 0.18 Allowed Glycine 0 C--O 1.21 -1.388 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.921 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.43 28.98 14.46 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 112.532 -1.834 . . . . 10.0 110.397 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.84 93.88 0.15 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 125.477 2.561 . . . . 10.0 108.885 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.532 HD12 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -66.23 161.85 21.26 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 111.45 -2.614 . . . . 10.0 110.56 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -152.1 143.33 23.27 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 109.69 -3.414 . . . . 10.0 111.989 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 159.9 41.96 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 127.225 2.828 . . . . 10.0 113.073 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.4 121.69 37.26 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 112.108 -2.315 . . . . 10.0 109.101 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.5 mtp -107.64 116.49 32.05 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 111.795 -2.457 . . . . 10.0 112.002 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 61.9 mtt180 -127.24 167.32 16.26 Favored 'General case' 0 CA--C 1.498 -1.025 0 O-C-N 125.979 2.05 . . . . 10.0 111.764 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 162.09 128.47 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 127.02 2.7 . . . . 10.0 109.327 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.5 22.26 5.23 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 126.863 2.602 . . . . 10.0 113.413 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.03 10.97 85.99 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 126.164 2.165 . . . . 10.0 113.968 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.1 t -113.35 135.11 53.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.105 0 CA-C-N 113.208 -1.496 . . . . 10.0 109.409 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 126' ' ' CYS . 0.4 OUTLIER -111.47 166.71 10.9 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 125.744 1.902 . . . . 10.0 114.841 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.486 ' N ' HG23 ' A' ' 125' ' ' THR . 7.8 t -164.06 131.16 3.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 111.45 -2.613 . . . . 10.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -125.27 146.14 49.68 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 125.687 1.867 . . . . 10.0 114.234 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -133.7 135.56 44.12 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 128.649 3.718 . . . . 10.0 113.907 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 130' ' ' PHE . 9.0 t -99.8 154.42 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 126.378 2.299 . . . . 10.0 109.199 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.512 ' N ' HG12 ' A' ' 129' ' ' VAL . 2.9 m-85 -133.55 167.56 20.24 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 127.935 3.272 . . . . 10.0 112.965 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -143.53 115.18 8.15 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 127.249 2.843 . . . . 10.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 154.58 35.32 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.351 -1.749 . . . . 10.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.03 -54.34 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 127.846 3.216 . . . . 10.0 110.136 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.247 0.962 0 CA-C-N 111.503 -2.59 . . . . 10.0 114.214 -179.747 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 124.77 2.224 . . . . 10.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -136.11 76.99 1.63 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 111.19 -2.732 . . . . 10.0 108.492 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -149.3 107.6 3.77 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 110.641 -2.981 . . . . 10.0 110.359 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.4 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 164.54 -166.62 37.98 Favored Glycine 0 C--O 1.221 -0.678 0 C-N-CA 118.828 -1.653 . . . . 10.0 113.402 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 4.0 m-85 -116.23 102.49 9.62 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.672 2.042 . . . . 10.0 112.881 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 4.1 m95 -107.93 123.66 48.96 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.523 -1.217 . . . . 10.0 111.47 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -114.29 154.75 27.43 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 128.166 3.416 . . . . 10.0 109.48 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.6 ttm -78.84 152.64 31.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 111.422 -2.626 . . . . 10.0 114.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt -130.28 -48.55 1.09 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 113.954 -1.476 . . . . 10.0 113.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.8 m -148.5 166.47 28.11 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 125.459 1.724 . . . . 10.0 113.367 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -116.11 -165.9 1.09 Allowed 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 109.794 -3.366 . . . . 10.0 107.812 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -162.3 -54.84 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 128.511 3.632 . . . . 10.0 112.949 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -141.32 25.24 2.07 Favored 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.387 2.929 . . . . 10.0 109.861 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.546 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 73.6 t80 -71.87 -25.48 61.96 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 112.882 -1.963 . . . . 10.0 112.585 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.04 -34.09 61.82 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.322 1.534 . . . . 10.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.39 -30.18 61.85 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 112.566 -2.106 . . . . 10.0 112.875 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 23' ' ' LEU . 2.1 t80 -70.14 -28.33 65.27 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 109.7 -3.409 . . . . 10.0 114.104 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 16' ' ' PHE . 41.5 mt -66.2 -21.5 66.31 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 126.316 2.96 . . . . 10.0 114.059 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -71.32 -42.52 68.51 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.42 -2.173 . . . . 10.0 113.452 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -23.91 46.4 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-O 125.521 2.582 . . . . 10.0 115.415 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 25' ' ' VAL . 56.5 mt -101.76 -1.47 32.35 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.272 -2.24 . . . . 10.0 112.058 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.16 21.98 11.09 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.882 -1.963 . . . . 10.0 111.534 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 23' ' ' LEU . 9.3 t -59.2 124.66 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 126.93 2.644 . . . . 10.0 107.503 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.86 140.94 0.1 Allowed 'General case' 0 C--O 1.221 -0.402 0 O-C-N 126.691 2.494 . . . . 10.0 112.261 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.23 -23.82 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.203 0 N-CA-C 115.134 1.531 . . . . 10.0 115.134 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.36 29.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 110.493 -3.049 . . . . 10.0 111.533 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -33.99 77.1 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 111.866 -2.425 . . . . 10.0 114.026 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -74.96 -27.41 60.16 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 112.603 -2.09 . . . . 10.0 109.635 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -37.87 67.53 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 126.103 2.858 . . . . 10.0 110.185 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.444 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -75.55 -29.12 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 111.37 -2.65 . . . . 10.0 109.931 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -62.2 -22.46 65.94 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 126.953 2.658 . . . . 10.0 113.956 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.13 -34.13 74.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 112.749 -2.023 . . . . 10.0 113.923 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.14 28.37 8.82 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 123.701 1.715 . . . . 10.0 111.231 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -119.6 109.5 15.76 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 109.855 -3.338 . . . . 10.0 109.843 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -140.39 85.35 13.47 Favored Pre-proline 0 CA--C 1.501 -0.923 0 CA-C-N 111.206 -2.725 . . . . 10.0 110.002 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -85.0 167.43 10.98 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 123.843 3.029 . . . . 10.0 109.064 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.85 143.27 45.39 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 110.094 -3.23 . . . . 10.0 108.78 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -101.92 145.31 29.42 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.513 1.149 . . . . 10.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -132.27 85.64 2.26 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 114.003 -1.453 . . . . 10.0 108.95 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.1 mt -82.83 137.28 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 CA-C-N 110.857 -2.883 . . . . 10.0 114.633 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -135.15 101.58 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 125.034 2.35 . . . . 10.0 109.684 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -92.87 136.64 33.07 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 112.009 -2.36 . . . . 10.0 110.133 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -144.35 46.76 1.4 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.636 -1.62 . . . . 10.0 114.053 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 131.31 -128.66 5.46 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-O 125.445 2.692 . . . . 10.0 112.239 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -19.07 54.39 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 112.881 -1.66 . . . . 10.0 111.248 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -101.63 165.7 11.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 128.322 3.514 . . . . 10.0 111.784 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 ttm -165.35 104.57 0.74 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 113.358 -1.746 . . . . 10.0 111.397 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.51 116.76 28.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 128.642 3.714 . . . . 10.0 110.574 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.544 HD12 ' HB2' ' A' ' 64' ' ' PHE . 4.2 mt -106.91 137.07 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 127.903 3.252 . . . . 10.0 109.573 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HB2' HG13 ' A' ' 61' ' ' ILE . 10.1 ptt180 -148.09 128.74 14.17 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 117.839 -1.544 . . . . 10.0 113.397 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.2 m -94.23 132.21 39.03 Favored 'General case' 0 CA--C 1.509 -0.628 1 O-C-N 129.294 4.121 . . . . 10.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.67 116.82 26.04 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 112.12 -2.309 . . . . 10.0 113.971 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.26 140.86 18.91 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.183 -1.826 . . . . 10.0 109.779 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -18.77 64.37 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.319 2.887 . . . . 10.0 109.254 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HB2' HD21 ' A' ' 36' ' ' LEU . 9.1 t80 -78.83 -33.24 46.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.513 0.673 . . . . 10.0 110.003 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -179.95 134.99 0.11 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 112.089 -2.323 . . . . 10.0 112.649 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -102.8 106.23 16.79 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.832 -2.44 . . . . 10.0 108.548 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -109.76 99.6 8.73 Favored 'General case' 0 CA--C 1.498 -1.032 0 O-C-N 126.782 2.551 . . . . 10.0 114.191 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 52' ' ' ARG . 2.9 mt -105.37 144.33 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.788 0 CA-C-N 111.473 -2.603 . . . . 10.0 110.97 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.8 mtm -151.1 166.84 29.56 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 125.739 2.685 . . . . 10.0 111.574 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.36 116.87 27.1 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.848 -2.887 . . . . 10.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.544 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -99.46 139.2 35.46 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 124.198 1.952 . . . . 10.0 110.56 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 1.7 mp0 -134.03 114.92 13.72 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 111.666 -2.515 . . . . 10.0 108.656 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.67 123.8 37.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 CA-C-O 123.549 1.643 . . . . 10.0 110.507 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.45 12.13 65.41 Favored Glycine 0 C--O 1.21 -1.373 0 CA-C-N 112.389 -2.187 . . . . 10.0 110.309 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -120.98 145.76 47.4 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 123.622 1.677 . . . . 10.0 111.262 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.42 125.42 53.85 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.944 -1.48 . . . . 10.0 110.186 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 8.1 p90 -160.56 169.44 22.94 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.262 0.976 . . . . 10.0 111.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.35 143.14 55.26 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 112.34 -2.209 . . . . 10.0 111.411 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.693 ' O ' HD12 ' A' ' 74' ' ' LEU . 7.7 tt0 -123.1 78.8 1.6 Allowed 'General case' 0 C--O 1.213 -0.821 0 O-C-N 127.254 2.846 . . . . 10.0 109.563 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.18 96.65 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 109.854 -3.339 . . . . 10.0 109.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -101.0 47.33 0.92 Allowed 'General case' 0 C--O 1.207 -1.183 0 CA-C-O 124.472 2.082 . . . . 10.0 108.132 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 m -83.41 0.51 45.78 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.95 1.77 33.65 Favored Glycine 0 C--O 1.208 -1.477 0 CA-C-O 123.13 1.405 . . . . 10.0 110.182 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.96 -74.08 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 113.042 -1.579 . . . . 10.0 113.322 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -137.16 28.14 2.84 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 117.074 -1.441 . . . . 10.0 111.671 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.6 p-10 28.97 70.26 0.07 Allowed 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 128.71 3.756 . . . . 10.0 112.185 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -130.53 36.79 3.9 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.836 -1.075 . . . . 10.0 113.093 -179.619 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 115.93 0.16 Allowed 'General case' 0 C--O 1.213 -0.866 0 O-C-N 128.915 3.885 . . . . 10.0 112.433 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 80' ' ' ARG . 1.6 m -148.42 -172.99 4.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 127.152 2.782 . . . . 10.0 111.826 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.4 mtm -88.92 141.04 28.83 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.749 1.388 . . . . 10.0 114.749 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.3 m -141.18 127.24 19.48 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.319 -2.673 . . . . 10.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -122.61 139.7 53.63 Favored 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 127.004 2.69 . . . . 10.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.703 HG22 ' HB2' ' A' ' 95' ' ' CYS . 87.4 t -111.89 146.07 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 113.793 -1.549 . . . . 10.0 112.434 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 t -123.4 160.82 25.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 112.842 -1.981 . . . . 10.0 109.791 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -120.61 77.18 1.25 Allowed 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 123.676 1.703 . . . . 10.0 109.201 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -33.78 76.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 112.471 -2.15 . . . . 10.0 114.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.89 126.73 2.64 Favored Glycine 0 C--O 1.213 -1.169 0 CA-C-N 111.608 -2.542 . . . . 10.0 110.308 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.22 -86.41 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 O-C-N 126.046 1.674 . . . . 10.0 107.668 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.49 129.03 40.0 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 125.901 2.001 . . . . 10.0 111.255 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -95.64 105.46 17.45 Favored 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 124.248 0.968 . . . . 10.0 109.482 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.54 143.66 40.57 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 123.383 1.563 . . . . 10.0 109.293 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.703 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -132.19 140.08 48.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 111.004 -2.816 . . . . 10.0 110.503 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.76 146.25 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.064 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.83 157.86 36.5 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.208 -2.269 . . . . 10.0 108.747 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -111.63 -71.47 0.76 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 125.151 1.532 . . . . 10.0 109.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.31 -144.44 19.65 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 119.405 -1.379 . . . . 10.0 111.899 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.58 16.27 4.4 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 128.264 2.979 . . . . 10.0 111.2 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -108.99 161.3 15.29 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-N 114.865 -1.061 . . . . 10.0 113.121 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -84.36 84.11 7.75 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.774 2.546 . . . . 10.0 114.279 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.02 -109.16 0.72 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-N 112.563 -2.108 . . . . 10.0 112.802 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 48.43 92.24 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.702 0 O-C-N 127.089 2.288 . . . . 10.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.2 90.43 0.09 OUTLIER Glycine 0 C--O 1.213 -1.183 0 O-C-N 127.245 2.841 . . . . 10.0 113.022 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -64.85 167.49 7.51 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 111.811 -2.194 . . . . 10.0 114.105 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 60.6 m -158.78 122.14 3.81 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 128.732 3.77 . . . . 10.0 108.39 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.55 141.09 47.58 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.209 2.193 . . . . 10.0 111.699 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -162.23 109.28 1.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 124.447 2.07 . . . . 10.0 110.353 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.93 138.1 22.74 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 112.643 -2.071 . . . . 10.0 111.838 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 63.24 1.34 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 125.528 1.767 . . . . 10.0 110.654 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.59 -132.28 11.2 Favored Glycine 0 C--O 1.219 -0.811 0 O-C-N 125.511 1.757 . . . . 10.0 111.75 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -78.54 -9.37 59.31 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 126.699 2.058 . . . . 10.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.496 ' OE2' HG13 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -119.28 132.13 55.86 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 125.122 1.514 . . . . 10.0 111.549 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.37 149.55 22.95 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 113.872 -1.513 . . . . 10.0 111.019 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.652 ' C ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -142.51 137.49 30.26 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 127.207 2.817 . . . . 10.0 112.588 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -145.11 147.64 32.75 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 112.511 -2.131 . . . . 10.0 111.395 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -108.82 77.33 1.07 Allowed 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 125.137 2.399 . . . . 10.0 111.481 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 18.8 mtm -68.52 146.9 52.71 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 111.904 -2.407 . . . . 10.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -144.79 155.67 43.63 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 111.401 -2.636 . . . . 10.0 112.201 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -179.13 122.24 0.08 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 123.055 1.407 . . . . 10.0 114.495 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 59.34 25.64 14.35 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 113.002 -1.908 . . . . 10.0 112.19 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.96 80.8 Favored Glycine 0 N--CA 1.474 1.187 0 CA-C-N 114.732 -1.122 . . . . 10.0 113.658 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.4 t -95.43 126.91 47.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 CA-C-O 124.237 1.97 . . . . 10.0 109.691 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 36.9 m -110.21 144.2 39.23 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 124.961 2.315 . . . . 10.0 109.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 133.74 22.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 109.608 -3.451 . . . . 10.0 110.634 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -109.17 86.65 2.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 126.765 2.54 . . . . 10.0 113.768 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 145.45 55.73 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 128.199 3.437 . . . . 10.0 108.811 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.496 HG13 ' OE2' ' A' ' 114' ' ' GLU . 94.4 t -123.12 129.05 75.23 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.914 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.258 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -127.44 172.15 10.93 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 124.876 1.36 . . . . 10.0 109.284 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -149.08 130.25 14.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 124.725 2.202 . . . . 10.0 113.26 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -68.63 116.0 8.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.314 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.38 -35.12 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-N 111.726 -2.488 . . . . 10.0 109.476 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 CA--C 1.513 -0.48 0 O-C-N 127.422 2.951 . . . . 10.0 113.625 179.716 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 CA--C 1.499 -0.993 0 N-CA-C 113.486 0.921 . . . . 10.0 113.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -77.12 -22.28 52.92 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.263 1.982 . . . . 10.0 111.81 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.77 138.77 41.44 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 110.712 -2.949 . . . . 10.0 108.454 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.78 -176.96 18.96 Favored Glycine 0 C--O 1.217 -0.947 0 O-C-N 126.492 2.37 . . . . 10.0 108.942 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -113.55 126.21 55.05 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 119.018 -1.073 . . . . 10.0 113.195 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.674 ' CE3' HD13 ' A' ' 115' ' ' LEU . 0.8 OUTLIER -105.46 140.46 38.53 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 127.118 2.761 . . . . 10.0 110.008 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -136.62 134.88 37.83 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 125.503 2.573 . . . . 10.0 109.286 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mmm -61.27 152.07 30.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 110.329 -3.123 . . . . 10.0 114.584 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.008 HD12 HG12 ' A' ' 129' ' ' VAL . 86.0 mt -120.72 -52.76 2.11 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 126.488 2.368 . . . . 10.0 108.957 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -165.93 161.88 17.84 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 128.687 3.742 . . . . 10.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.96 -178.71 3.73 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 112.531 -2.122 . . . . 10.0 107.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -146.23 -57.18 0.29 Allowed 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 113.875 -1.511 . . . . 10.0 110.445 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -130.69 32.17 4.42 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 126.472 2.358 . . . . 10.0 111.203 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -72.91 -27.86 62.12 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-O 122.855 1.312 . . . . 10.0 109.389 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.13 -50.62 18.62 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 113.29 -1.777 . . . . 10.0 112.822 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.6 -25.25 62.96 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.668 -2.06 . . . . 10.0 112.16 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -67.64 -22.77 65.31 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 111.624 -2.535 . . . . 10.0 112.911 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 20' ' ' LEU . 22.7 mt -77.99 -26.49 48.67 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 123.809 1.766 . . . . 10.0 109.757 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -70.63 -26.77 63.63 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.301 -1.772 . . . . 10.0 112.773 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -69.17 -38.56 78.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 111.186 -2.733 . . . . 10.0 112.258 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' OD2' ' A' ' 78' ' ' ASP . 48.9 mt -92.19 8.7 36.86 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 112.944 -1.935 . . . . 10.0 112.689 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.15 34.91 18.75 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 112.709 -2.041 . . . . 10.0 113.068 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.5 138.88 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 CA-C-N 114.534 -1.212 . . . . 10.0 111.816 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -48.61 157.28 0.38 Allowed 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 111.919 -2.401 . . . . 10.0 111.564 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG13 ' H ' ' A' ' 27' ' ' VAL . 1.8 m -73.4 -21.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 110.831 -2.895 . . . . 10.0 111.811 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.62 76.02 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.379 2.924 . . . . 10.0 113.417 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -25.42 60.06 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.91 -2.859 . . . . 10.0 111.556 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -71.1 -32.2 68.73 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 124.816 1.322 . . . . 10.0 111.094 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -45.62 64.44 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 128.756 3.785 . . . . 10.0 112.768 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.435 HG22 HD12 ' A' ' 36' ' ' LEU . 32.1 mt -72.49 -24.15 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 110.053 -3.249 . . . . 10.0 112.529 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.69 67.83 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 126.347 2.279 . . . . 10.0 114.17 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -74.62 -32.29 62.26 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 128.001 3.313 . . . . 10.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.35 12.0 28.52 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.101 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.56 109.26 19.99 Favored 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 117.701 -1.6 . . . . 10.0 113.199 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -138.85 82.4 20.64 Favored Pre-proline 0 C--O 1.211 -0.926 0 CA-C-N 113.279 -1.782 . . . . 10.0 111.262 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -85.35 174.53 6.93 Favored 'Trans proline' 0 CA--C 1.511 -0.641 0 O-C-N 126.875 3.04 . . . . 10.0 109.132 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.61 108.37 8.53 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 124.144 1.926 . . . . 10.0 110.235 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 1.1 mtpt -62.73 143.26 57.62 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.282 -2.236 . . . . 10.0 113.79 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' HD13 ' A' ' 42' ' ' ILE . 10.4 tt0 -130.32 111.94 12.84 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 113.044 -1.889 . . . . 10.0 108.564 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.577 ' N ' HD13 ' A' ' 42' ' ' ILE . 2.9 mm -91.36 142.55 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 112.466 -2.152 . . . . 10.0 112.935 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.37 63.04 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.175 -1.375 . . . . 10.0 109.418 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -66.7 146.95 53.9 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 126.706 2.504 . . . . 10.0 114.254 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 3.3 m-20 -144.25 81.83 1.68 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 110.199 -3.182 . . . . 10.0 110.347 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.12 -115.81 8.17 Favored Glycine 0 N--CA 1.472 1.092 0 O-C-N 128.483 3.614 . . . . 10.0 113.432 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -64.9 -49.22 71.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 111.252 -2.474 . . . . 10.0 112.219 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -84.03 131.0 34.86 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 127.817 3.198 . . . . 10.0 110.295 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.85 115.11 16.76 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 126.912 2.632 . . . . 10.0 111.804 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.11 139.19 19.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.5 HG13 HD12 ' A' ' 42' ' ' ILE . 1.2 mp -117.89 124.97 73.83 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 O-C-N 125.0 1.438 . . . . 10.0 110.237 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -112.85 119.16 37.05 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -105.17 104.81 14.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 107.869 -1.159 . . . . 10.0 107.869 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -103.36 99.15 8.98 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 115.335 1.605 . . . . 10.0 115.335 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.4 p -132.25 165.4 24.23 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 127.838 3.212 . . . . 10.0 107.652 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -94.69 3.62 54.83 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.141 -1.39 . . . . 10.0 112.168 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 79.4 m-85 -99.71 -45.38 5.78 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 109.963 -3.289 . . . . 10.0 112.763 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -168.51 105.07 0.44 Allowed 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 127.202 2.814 . . . . 10.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -72.39 126.68 30.43 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.485 2.991 . . . . 10.0 109.131 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.788 ' C ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -122.87 141.47 51.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 113.38 -1.736 . . . . 10.0 109.883 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.788 HD12 ' C ' ' A' ' 60' ' ' TYR . 3.6 mp -130.21 124.66 58.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 126.358 2.98 . . . . 10.0 108.968 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 37.9 mtt -124.91 149.97 47.03 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 112.522 -2.126 . . . . 10.0 110.589 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -122.45 82.29 1.95 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 124.631 2.158 . . . . 10.0 108.365 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -80.55 118.76 22.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 111.833 -2.439 . . . . 10.0 114.34 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -103.36 135.85 44.21 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 112.608 -2.087 . . . . 10.0 108.658 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.74 117.04 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.027 0 CA-C-N 112.95 -1.932 . . . . 10.0 113.617 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.58 -21.74 44.49 Favored Glycine 0 C--O 1.211 -1.303 0 CA-C-N 113.311 -1.768 . . . . 10.0 111.969 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 141.73 46.57 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 113.612 -1.294 . . . . 10.0 112.856 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 144.1 48.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 111.257 -2.701 . . . . 10.0 112.482 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -155.01 159.25 40.19 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 125.928 2.775 . . . . 10.0 109.082 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 148.75 33.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.196 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -132.49 110.09 10.26 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 110.603 -2.999 . . . . 10.0 108.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -100.31 112.05 24.36 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 126.58 2.425 . . . . 10.0 109.811 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.13 48.37 0.84 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 109.04 -3.709 . . . . 10.0 108.072 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.24 18.77 13.02 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 124.444 2.068 . . . . 10.0 114.476 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.83 24.99 2.27 Favored Glycine 0 C--O 1.217 -0.932 0 CA-C-N 111.726 -2.488 . . . . 10.0 108.922 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.8 -63.43 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 CA-C-O 125.003 2.335 . . . . 10.0 109.473 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.739 ' OD2' HD22 ' A' ' 23' ' ' LEU . 41.6 p-10 -153.89 22.99 0.51 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 109.655 -3.429 . . . . 10.0 114.563 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 39.88 90.7 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 123.878 1.799 . . . . 10.0 114.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.75 -61.69 0.99 Allowed 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt 67.19 103.96 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 124.589 2.138 . . . . 10.0 112.963 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.57 -173.13 3.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.511 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.6 mtp -113.31 149.32 34.11 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.186 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.4 m -146.34 143.0 28.81 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 127.229 2.831 . . . . 10.0 114.139 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.05 142.97 51.16 Favored 'General case' 0 C--O 1.217 -0.629 1 O-C-N 129.199 4.062 . . . . 10.0 108.544 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 64' ' ' PHE . 85.6 t -127.76 135.49 62.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 O-C-N 126.03 2.081 . . . . 10.0 112.299 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 t -137.51 127.87 26.42 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 110.753 -2.931 . . . . 10.0 107.989 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -87.52 18.77 3.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 116.994 -1.479 . . . . 10.0 114.689 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 t70 30.97 44.12 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.764 3.165 . . . . 10.0 114.047 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 40.18 31.69 0.35 Allowed Glycine 0 C--N 1.347 1.184 0 CA-C-N 112.155 -2.293 . . . . 10.0 114.027 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t0 153.38 121.78 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.632 0 O-C-N 128.333 3.02 . . . . 10.0 108.265 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.03 115.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 126.1 2.125 . . . . 10.0 107.88 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 120.91 13.85 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.367 -1.742 . . . . 10.0 111.123 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.31 108.88 13.24 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 125.336 2.493 . . . . 10.0 113.216 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.8 t -102.47 127.86 49.33 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.906 -1.952 . . . . 10.0 113.63 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.55 147.07 33.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 127.092 2.745 . . . . 10.0 109.141 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -116.74 151.01 37.3 Favored 'General case' 0 CA--C 1.495 -1.138 1 O-C-N 129.589 4.305 . . . . 10.0 109.199 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -92.83 -10.16 37.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.205 -1.362 . . . . 10.0 112.816 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' LYS . . . -42.76 110.92 0.3 Allowed Glycine 0 C--O 1.209 -1.44 0 O-C-N 126.992 2.682 . . . . 10.0 109.513 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -56.2 85.28 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 124.95 2.31 . . . . 10.0 113.204 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -156.38 -164.52 1.69 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.636 -2.529 . . . . 10.0 107.91 -179.692 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -125.86 91.06 3.31 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.693 2.496 . . . . 10.0 110.646 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.06 -45.41 1.0 Allowed Glycine 0 N--CA 1.462 0.429 0 C-N-CA 119.412 -1.375 . . . . 10.0 114.079 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -31.2 94.19 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 127.699 3.619 . . . . 10.0 115.439 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.5 149.38 5.93 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 110.31 -3.132 . . . . 10.0 112.578 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.501 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 2.7 m0 -126.21 145.71 50.27 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 123.903 1.811 . . . . 10.0 114.036 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.1 m -126.6 134.2 50.86 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 111.733 -2.485 . . . . 10.0 109.578 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.505 ' HG2' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.23 132.83 41.93 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 125.336 1.648 . . . . 10.0 115.357 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.41 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 2.0 p90 -138.5 142.59 39.35 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 128.205 3.441 . . . . 10.0 107.887 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.8 mt -113.71 151.5 15.54 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-O 125.564 2.602 . . . . 10.0 114.047 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -136.86 -179.18 5.54 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 108.928 -3.76 . . . . 10.0 108.76 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.67 84.11 0.01 OUTLIER Glycine 0 C--O 1.213 -1.175 0 O-C-N 128.246 3.466 . . . . 10.0 113.521 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.19 74.02 0.45 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 126.417 1.892 . . . . 10.0 109.572 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 173.18 136.64 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 110.717 -2.947 . . . . 10.0 108.406 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.674 HD13 ' CE3' ' A' ' 8' ' ' TRP . 1.7 tt -117.03 100.69 7.92 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 111.48 -2.6 . . . . 10.0 108.282 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 143.81 32.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 113.241 -1.799 . . . . 10.0 109.028 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.68 HD13 ' HG3' ' A' ' 119' ' ' MET . 4.5 pp -150.38 173.27 14.2 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 114.812 -1.085 . . . . 10.0 109.206 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -135.7 92.58 2.84 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 128.159 3.412 . . . . 10.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.68 ' HG3' HD13 ' A' ' 117' ' ' LEU . 32.4 mtt -83.32 140.95 32.15 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 113.939 -1.482 . . . . 10.0 108.442 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -141.77 139.49 32.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 129.006 3.941 . . . . 10.0 110.784 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -171.39 117.37 0.43 Allowed 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.07 -1.877 . . . . 10.0 111.993 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 70.37 23.61 4.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.891 -1.049 . . . . 10.0 113.603 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.8 11.1 55.76 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 113.297 -1.774 . . . . 10.0 114.586 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 22' ' ' ALA . 47.0 t -96.25 162.06 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.129 0 C-N-CA 118.292 -1.363 . . . . 10.0 109.855 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.432 ' N ' ' CG1' ' A' ' 124' ' ' VAL . 1.7 m -141.27 86.74 2.04 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 112.812 -1.994 . . . . 10.0 107.865 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 13.4 t -101.45 104.74 15.69 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 125.901 2.001 . . . . 10.0 113.137 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -104.37 86.07 2.46 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.807 2.567 . . . . 10.0 111.959 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.84 137.71 40.65 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 125.115 2.388 . . . . 10.0 114.047 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 1.008 HG12 HD12 ' A' ' 11' ' ' LEU . 22.5 t -91.76 92.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 109.849 -3.341 . . . . 10.0 115.186 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.85 143.79 26.77 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 128.36 3.538 . . . . 10.0 109.821 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.711 ' HB2' HD11 ' A' ' 11' ' ' LEU . 11.2 tptm -125.18 124.05 40.93 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 124.312 2.006 . . . . 10.0 112.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -68.22 109.8 3.74 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 111.522 -2.581 . . . . 10.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.2 -55.12 18.18 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 CA-C-N 112.613 -2.085 . . . . 10.0 107.881 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.259 1.578 0 O-C-N 128.575 3.672 . . . . 10.0 113.026 179.674 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 C--O 1.214 -0.764 0 CA-C-O 121.369 0.604 . . . . 10.0 111.212 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.36 -33.54 76.2 Favored 'General case' 0 CA--C 1.499 -0.993 0 O-C-N 127.116 2.76 . . . . 10.0 112.839 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.36 104.71 1.0 Allowed 'General case' 0 C--O 1.209 -1.072 0 CA-C-N 112.775 -2.012 . . . . 10.0 111.38 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.7 179.1 48.76 Favored Glycine 0 C--N 1.348 1.226 0 C-N-CA 117.15 -2.452 . . . . 10.0 114.41 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -104.57 104.04 13.8 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 125.373 1.278 . . . . 10.0 109.768 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 11.2 m95 -107.64 108.3 19.49 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 118.681 -1.208 . . . . 10.0 109.46 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -98.04 144.15 27.84 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 126.939 2.649 . . . . 10.0 109.709 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.69 163.56 0.3 Allowed 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 126.206 2.908 . . . . 10.0 112.292 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -138.35 -58.11 0.64 Allowed 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 110.503 -3.044 . . . . 10.0 108.415 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -152.0 -176.93 5.86 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 110.079 -3.237 . . . . 10.0 108.428 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 1.8 p-10 -175.44 93.35 0.06 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.227 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -83.51 149.35 26.67 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 111.887 -2.415 . . . . 10.0 111.844 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 53.0 20.34 1.65 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 111.859 -2.428 . . . . 10.0 114.204 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.526 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 35.1 t80 -74.33 -23.01 58.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.162 1.458 . . . . 10.0 112.553 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.12 -38.73 60.99 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 114.147 -1.388 . . . . 10.0 111.418 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.31 -24.77 62.2 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 113.047 -1.888 . . . . 10.0 113.697 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.67 -31.32 66.67 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 124.453 2.073 . . . . 10.0 111.57 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD11 ' CB ' ' A' ' 33' ' ' ALA . 18.5 mt -71.66 -32.74 68.23 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.588 -2.096 . . . . 10.0 113.034 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -77.25 -24.17 51.19 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 110.698 -2.955 . . . . 10.0 112.711 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.34 66.66 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.927 -1.942 . . . . 10.0 112.781 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD22 ' OD2' ' A' ' 78' ' ' ASP . 8.6 mt -106.94 15.67 25.12 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 112.091 -2.322 . . . . 10.0 111.224 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 42.3 40.34 1.76 Allowed 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 124.893 2.282 . . . . 10.0 113.666 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.629 HG12 ' N ' ' A' ' 26' ' ' ASN . 6.2 t -57.72 -74.74 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-N 111.11 -2.768 . . . . 10.0 112.857 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.629 ' N ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER 172.16 150.52 0.06 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.153 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.786 HG23 ' NH2' ' A' ' 30' ' ' ARG . 10.2 p -68.92 -31.15 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 114.412 1.264 . . . . 10.0 114.412 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.63 -43.26 76.73 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 111.255 -2.702 . . . . 10.0 115.03 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -27.26 64.64 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 125.851 2.739 . . . . 10.0 111.826 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.786 ' NH2' HG23 ' A' ' 27' ' ' VAL . 3.1 tmm_? -72.72 -30.91 64.59 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 111.468 -2.606 . . . . 10.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -79.89 -29.16 39.87 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.44 3.588 . . . . 10.0 109.531 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.469 HG21 ' CE2' ' A' ' 57' ' ' PHE . 5.9 mt -79.72 -28.88 12.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 127.087 2.742 . . . . 10.0 111.456 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.526 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -75.62 -20.96 58.17 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.376 2.036 . . . . 10.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.59 -33.85 69.38 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 111.22 -2.718 . . . . 10.0 113.711 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.41 2.16 48.67 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 110.843 -2.889 . . . . 10.0 113.92 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.8 mt -128.79 143.51 50.93 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 112.946 -1.933 . . . . 10.0 113.574 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -151.52 80.07 6.42 Favored Pre-proline 0 CA--C 1.495 -1.16 0 O-C-N 126.641 2.463 . . . . 10.0 112.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -44.04 148.07 1.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 O-C-N 124.89 1.995 . . . . 10.0 114.463 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -108.99 112.08 24.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.839 -2.437 . . . . 10.0 107.589 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.16 143.66 41.03 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 127.552 3.032 . . . . 10.0 114.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.69 84.67 2.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 124.922 2.296 . . . . 10.0 112.232 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.44 143.52 12.75 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 110.573 -3.012 . . . . 10.0 109.303 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.21 111.4 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-N 109.792 -3.367 . . . . 10.0 113.055 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.7 130.41 34.7 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 123.515 1.626 . . . . 10.0 111.42 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -147.36 67.12 1.13 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 113.012 -1.904 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.44 -116.04 4.13 Favored Glycine 0 C--O 1.209 -1.429 0 CA-C-N 111.781 -2.463 . . . . 10.0 114.332 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.6 29.16 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.604 -2.298 . . . . 10.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -74.39 165.02 25.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.326 1.536 . . . . 10.0 109.437 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 ttp -155.41 84.12 1.05 Allowed 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 111.23 -2.714 . . . . 10.0 109.118 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.7 mt -75.22 133.03 32.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.274 -0.875 . . . . 10.0 112.816 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 mt -114.27 133.95 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 O-C-N 128.735 3.772 . . . . 10.0 110.648 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -117.51 138.61 51.77 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 127.512 3.007 . . . . 10.0 109.424 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -135.69 98.97 4.06 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 109.771 -3.377 . . . . 10.0 108.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.12 108.4 20.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 108.925 -3.761 . . . . 10.0 115.444 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -147.04 107.69 4.12 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 112.822 -1.99 . . . . 10.0 108.794 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -33.24 -35.91 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 O-C-N 127.978 3.298 . . . . 10.0 114.177 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.469 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -66.8 -55.32 15.42 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 112.797 -2.001 . . . . 10.0 113.263 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -157.64 112.53 2.7 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.834 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -75.08 171.32 14.33 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 111.867 -2.424 . . . . 10.0 108.882 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -163.27 89.97 0.64 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 112.165 -2.289 . . . . 10.0 113.324 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.9 mp -109.82 128.82 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 123.943 1.83 . . . . 10.0 113.946 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 mmt -149.86 169.43 21.14 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 111.885 -2.416 . . . . 10.0 109.572 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -115.44 135.17 54.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 110.082 -3.235 . . . . 10.0 108.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.12 113.48 17.78 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 114.387 -1.279 . . . . 10.0 114.051 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -83.27 98.26 9.32 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 127.106 2.754 . . . . 10.0 108.239 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 66' ' ' VAL . 24.9 t -61.26 110.69 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.403 -1.726 . . . . 10.0 113.871 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.67 -4.99 21.01 Favored Glycine 0 C--O 1.208 -1.518 0 O-C-N 127.31 2.881 . . . . 10.0 114.442 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.34 166.96 11.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 113.561 -1.32 . . . . 10.0 113.174 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.11 156.17 19.82 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 110.582 -3.008 . . . . 10.0 112.295 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -133.76 -178.95 5.25 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 112.697 -2.047 . . . . 10.0 114.048 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -140.88 61.86 1.49 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 126.626 2.454 . . . . 10.0 109.144 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.98 144.47 14.89 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 110.643 -2.98 . . . . 10.0 113.484 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.9 115.75 12.23 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 111.316 -2.675 . . . . 10.0 109.729 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 74' ' ' LEU . 5.1 mp -120.61 52.02 1.19 Allowed 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 111.581 -2.554 . . . . 10.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -77.75 -4.36 45.94 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 122.871 1.32 . . . . 10.0 113.514 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -103.03 -5.39 47.08 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-N 113.563 -1.653 . . . . 10.0 111.552 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.31 -74.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 CA-C-N 112.956 -1.622 . . . . 10.0 110.299 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.589 ' OD2' HD22 ' A' ' 23' ' ' LEU . 2.7 p-10 -143.77 20.49 1.82 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.252 -0.885 . . . . 10.0 113.015 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 54.5 t0 36.31 76.9 0.05 OUTLIER 'General case' 0 C--O 1.209 -1.078 0 O-C-N 127.053 2.721 . . . . 10.0 113.364 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.3 mtp180 -82.31 -67.26 0.8 Allowed 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 110.416 -3.083 . . . . 10.0 113.109 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt 71.69 85.22 0.13 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 128.558 3.661 . . . . 10.0 111.561 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 93.3 m -131.46 178.44 6.73 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.195 -1.366 . . . . 10.0 112.8 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' LYS . 1.8 mtm -105.88 133.94 49.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.558 -2.11 . . . . 10.0 108.926 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 m -115.91 143.38 45.51 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 124.321 2.01 . . . . 10.0 114.049 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 96' ' ' VAL . 1.9 m -150.49 115.8 5.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 112.534 -2.121 . . . . 10.0 107.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.606 ' CG1' HD11 ' A' ' 93' ' ' LEU . 38.4 t -108.17 145.16 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 O-C-N 127.312 2.883 . . . . 10.0 109.195 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.428 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.4 m -158.83 154.85 26.78 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.262 -2.699 . . . . 10.0 111.127 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -99.61 151.21 21.45 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 112.431 -2.168 . . . . 10.0 111.64 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -101.33 -59.62 1.67 Allowed 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 112.311 -2.222 . . . . 10.0 111.768 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.89 110.26 0.27 Allowed Glycine 0 C--N 1.345 1.029 0 O-C-N 126.799 2.562 . . . . 10.0 111.559 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.96 18.22 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 128.003 2.825 . . . . 10.0 113.367 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 143.04 1.18 Allowed 'General case' 0 C--O 1.209 -1.054 0 CA-C-N 111.183 -2.735 . . . . 10.0 113.13 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.606 HD11 ' CG1' ' A' ' 86' ' ' VAL . 25.9 tp -100.62 120.46 40.09 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 127.09 2.744 . . . . 10.0 111.677 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -109.66 152.06 26.07 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.699 2.499 . . . . 10.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 86' ' ' VAL . 28.5 m -138.98 148.2 43.17 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 114.132 -1.394 . . . . 10.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -140.42 121.09 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 110.33 -3.123 . . . . 10.0 112.288 -179.692 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -104.75 79.86 1.58 Allowed 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 127.639 3.087 . . . . 10.0 113.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' MET . 1.5 tttt -41.51 94.79 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 125.543 2.592 . . . . 10.0 113.845 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.63 -152.65 8.5 Favored Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 109.522 -3.49 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.47 46.11 1.61 Allowed 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 126.912 2.184 . . . . 10.0 111.54 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -124.71 -89.34 0.58 Allowed 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 111.525 -2.58 . . . . 10.0 114.59 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER 171.53 136.26 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.24 0.34 Allowed Glycine 0 C--O 1.212 -1.256 0 O-C-N 128.25 3.469 . . . . 10.0 110.683 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -83.85 62.11 6.77 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 125.062 2.363 . . . . 10.0 112.991 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.52 158.56 27.73 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 113.558 -1.656 . . . . 10.0 109.688 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -108.6 153.67 23.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 123.523 1.63 . . . . 10.0 115.034 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -135.3 116.47 14.4 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 111.874 -2.421 . . . . 10.0 107.786 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 117' ' ' LEU . 10.0 mp0 -114.99 160.79 19.16 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 123.946 1.831 . . . . 10.0 114.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -157.54 94.74 1.39 Allowed 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 110.023 -3.262 . . . . 10.0 108.918 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.45 147.43 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-N 110.474 -3.057 . . . . 10.0 109.838 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.9 -176.9 3.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 109.866 -3.333 . . . . 10.0 109.686 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.05 -60.62 4.93 Favored Glycine 0 C--O 1.221 -0.662 0 O-C-N 127.045 2.716 . . . . 10.0 112.217 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -138.99 61.07 1.58 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 177.12 146.04 0.1 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.036 -0.983 . . . . 10.0 109.748 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.65 110.38 22.67 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.859 1.349 . . . . 10.0 110.218 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -99.08 103.39 15.3 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 125.641 2.638 . . . . 10.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 118' ' ' GLU . 1.7 tp -116.98 128.19 54.94 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 111.059 -2.791 . . . . 10.0 109.617 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.6 mt-10 -118.91 73.18 0.91 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 124.482 2.087 . . . . 10.0 110.262 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -58.43 158.15 7.86 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 109.606 -3.452 . . . . 10.0 112.33 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 119' ' ' MET . 4.2 mtm180 -144.75 146.42 32.15 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.448 -1.251 . . . . 10.0 108.586 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.78 118.44 2.43 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 123.893 1.806 . . . . 10.0 113.165 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.04 19.93 1.14 Allowed 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 114.372 1.249 . . . . 10.0 114.372 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.82 -14.64 24.23 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 118.982 -0.899 . . . . 10.0 113.59 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.95 146.71 5.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 125.984 1.637 . . . . 10.0 109.076 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 45.1 m -116.91 118.82 33.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.343 1.544 . . . . 10.0 112.97 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.3 132.52 47.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 112.936 -1.938 . . . . 10.0 112.052 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 88.63 2.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 126.241 2.213 . . . . 10.0 113.784 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -78.75 115.82 18.7 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 109.509 -3.496 . . . . 10.0 108.269 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 130' ' ' PHE . 2.8 t -104.42 156.14 5.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 112.287 -2.233 . . . . 10.0 113.705 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.508 ' N ' HG12 ' A' ' 129' ' ' VAL . 4.6 m-85 -144.54 156.66 44.26 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 109.688 -3.415 . . . . 10.0 108.864 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.536 ' HB2' HD23 ' A' ' 11' ' ' LEU . 10.3 tptp -126.73 109.5 12.12 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 127.161 2.788 . . . . 10.0 113.021 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 8' ' ' TRP . 6.6 tttt -55.1 104.62 0.13 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 111.942 -2.39 . . . . 10.0 111.429 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.52 -53.48 39.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 O-C-N 126.64 2.462 . . . . 10.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.985 1 O-C-N 130.763 5.039 . . . . 10.0 108.989 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.505 -0.753 0 CA-C-O 125.204 2.43 . . . . 10.0 113.22 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -78.68 -28.96 45.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 113.2 -1.818 . . . . 10.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -59.88 141.67 54.99 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 111.968 -2.378 . . . . 10.0 111.919 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.18 -145.65 15.43 Favored Glycine 0 C--O 1.209 -1.443 0 CA-C-N 112.563 -2.108 . . . . 10.0 108.933 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.24 140.39 52.57 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 124.722 2.201 . . . . 10.0 109.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.838 ' CD2' HD12 ' A' ' 115' ' ' LEU . 4.1 m95 -142.34 107.44 4.95 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.738 -2.028 . . . . 10.0 114.177 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -100.4 153.25 19.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 112.811 -1.995 . . . . 10.0 107.676 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.444 ' HG3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.94 159.76 0.38 Allowed 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.287 1.617 . . . . 10.0 111.508 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 131' ' ' LYS . 0.8 OUTLIER -138.19 -54.12 0.63 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 109.72 -3.4 . . . . 10.0 112.221 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -178.05 157.98 1.18 Allowed 'General case' 0 C--O 1.221 -0.44 0 O-C-N 128.168 3.417 . . . . 10.0 108.859 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.13 -177.42 4.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 126.443 2.339 . . . . 10.0 108.473 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -170.87 123.64 0.62 Allowed 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 126.403 2.314 . . . . 10.0 108.782 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.07 30.14 3.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 123.074 1.416 . . . . 10.0 108.816 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -71.95 -45.69 60.19 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 114.26 -1.336 . . . . 10.0 113.493 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.72 -25.16 61.12 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.138 -0.937 . . . . 10.0 112.781 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.04 -37.06 64.43 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.609 -2.541 . . . . 10.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.4 t80 -73.92 -27.19 60.91 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 110.714 -2.948 . . . . 10.0 111.112 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -77.3 -29.26 53.62 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 110.834 -2.894 . . . . 10.0 108.904 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -78.61 -22.75 46.54 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 112.836 -1.984 . . . . 10.0 108.91 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -66.9 -27.76 67.76 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.175 -1.829 . . . . 10.0 114.467 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB2' HG23 ' A' ' 25' ' ' VAL . 8.6 mt -99.74 8.95 43.87 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.06 -0.973 . . . . 10.0 111.924 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.45 49.78 6.2 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 127.12 2.762 . . . . 10.0 108.538 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.579 HG12 ' N ' ' A' ' 26' ' ' ASN . 14.2 t -59.69 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 111.251 -2.704 . . . . 10.0 113.45 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.579 ' N ' HG12 ' A' ' 25' ' ' VAL . 3.0 m-20 172.83 155.9 0.1 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 114.817 -1.083 . . . . 10.0 109.023 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -76.25 -30.22 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 122.894 1.33 . . . . 10.0 110.43 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.72 71.02 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 111.88 -2.418 . . . . 10.0 114.406 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -78.22 -21.89 49.33 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 117.398 -1.721 . . . . 10.0 113.728 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -72.47 -29.5 63.72 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 111.144 -2.753 . . . . 10.0 109.954 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -77.61 -42.64 34.29 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 112.572 -2.104 . . . . 10.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.643 HG21 ' CE2' ' A' ' 57' ' ' PHE . 9.2 mt -74.84 -30.84 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-N 113.021 -1.9 . . . . 10.0 112.501 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -62.57 -20.53 64.79 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.385 -2.189 . . . . 10.0 113.679 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -73.68 -24.99 60.03 Favored 'General case' 0 C--O 1.21 -0.987 0 CA-C-N 111.381 -2.645 . . . . 10.0 112.475 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 mt -100.66 7.77 43.74 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 128.483 3.614 . . . . 10.0 109.618 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -105.22 116.49 32.03 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 114.625 -1.17 . . . . 10.0 111.009 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HB3' ' HG3' ' A' ' 10' ' ' MET . 12.2 mttp -145.92 62.7 8.56 Favored Pre-proline 0 CA--C 1.511 -0.541 0 O-C-N 127.38 2.925 . . . . 10.0 108.486 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 9.4 Cg_endo -61.05 175.18 1.45 Allowed 'Trans proline' 0 CA--C 1.493 -1.527 0 O-C-N 126.495 2.84 . . . . 10.0 114.905 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.75 165.53 14.42 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-N 111.344 -2.662 . . . . 10.0 109.238 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -136.86 149.85 47.93 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 114.765 -1.107 . . . . 10.0 112.169 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.12 91.98 2.61 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 111.57 -2.559 . . . . 10.0 112.32 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 8' ' ' TRP . 4.4 mt -89.73 145.47 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.992 0 CA-C-O 124.566 2.127 . . . . 10.0 108.88 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.1 97.48 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 CA-C-O 125.285 2.469 . . . . 10.0 110.081 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -76.52 120.76 22.18 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.497 -2.138 . . . . 10.0 111.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.66 86.2 1.73 Allowed 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 111.534 -2.575 . . . . 10.0 114.006 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.24 -129.91 9.73 Favored Glycine 0 C--N 1.335 0.498 0 CA-C-N 110.493 -3.048 . . . . 10.0 111.031 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.58 -17.93 55.38 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 113.143 -1.528 . . . . 10.0 111.602 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.36 161.96 18.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.701 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 34.4 ttm -168.46 77.29 0.13 Allowed 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 124.016 1.865 . . . . 10.0 111.074 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -69.48 136.12 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-N 113.593 -1.64 . . . . 10.0 113.238 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.61 123.64 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-N 111.68 -2.509 . . . . 10.0 109.458 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -111.66 113.05 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 113.416 -1.72 . . . . 10.0 112.64 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.9 m -102.69 118.64 37.29 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 122.721 1.248 . . . . 10.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.5 mt -118.57 98.5 6.27 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 113.55 -1.659 . . . . 10.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 49.5 p -112.72 -1.45 14.74 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 115.496 1.665 . . . . 10.0 115.496 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 56' ' ' THR . 19.6 m 54.21 29.6 10.87 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.836 1.779 . . . . 10.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.643 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -140.06 -60.4 0.53 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.653 1.692 . . . . 10.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -147.18 106.06 3.84 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 125.553 2.597 . . . . 10.0 111.986 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -77.75 107.9 10.58 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 112.039 -2.346 . . . . 10.0 113.744 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -96.81 124.85 40.91 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 112.657 -2.065 . . . . 10.0 109.098 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 60' ' ' TYR . 20.0 mm -120.8 112.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 CA-C-N 111.608 -2.542 . . . . 10.0 113.281 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.6 mtp -123.48 101.75 7.51 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 125.435 2.54 . . . . 10.0 110.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -39.43 94.24 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.602 -2.09 . . . . 10.0 109.74 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 62.57 167.58 0.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 O-C-N 127.106 2.754 . . . . 10.0 110.195 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -165.79 85.39 0.35 Allowed 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.769 1.293 . . . . 10.0 109.696 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.5 t -45.66 130.26 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 113.697 -1.592 . . . . 10.0 114.482 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 3.51 86.19 Favored Glycine 0 N--CA 1.473 1.106 0 O-C-N 126.225 2.203 . . . . 10.0 113.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 158.5 31.67 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.559 -0.321 . . . . 10.0 110.402 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -108.44 135.97 48.84 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 129.311 4.132 . . . . 10.0 114.435 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.52 145.33 18.85 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-O 126.577 3.085 . . . . 10.0 113.132 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -75.73 123.58 25.82 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 109.865 -3.334 . . . . 10.0 112.581 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -106.48 132.78 52.09 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 127.091 2.744 . . . . 10.0 110.938 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -108.43 115.6 30.41 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.088 -1.869 . . . . 10.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.76 58.46 1.65 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.949 1.833 . . . . 10.0 111.637 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.39 108.96 20.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 111.451 -2.613 . . . . 10.0 112.172 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.87 -18.86 5.89 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-N 111.643 -2.526 . . . . 10.0 108.414 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 77' ' ' ILE . 3.4 mp -98.18 -79.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 110.766 -2.717 . . . . 10.0 108.816 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.416 ' HA ' HG22 ' A' ' 25' ' ' VAL . 1.2 p30 -109.98 -10.43 14.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 126.895 2.622 . . . . 10.0 114.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.03 72.18 0.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 126.18 2.175 . . . . 10.0 112.949 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.07 139.88 0.29 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 110.779 -2.919 . . . . 10.0 111.464 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.8 174.56 5.83 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 126.752 2.532 . . . . 10.0 109.874 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.5 177.39 2.17 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 111.9 -2.409 . . . . 10.0 109.715 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.4 mtt -104.7 126.08 51.43 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 124.736 2.208 . . . . 10.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.0 m -120.88 142.29 49.81 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 110.513 -3.04 . . . . 10.0 112.731 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -135.67 145.12 46.43 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 127.712 3.132 . . . . 10.0 108.556 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.98 138.22 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 127.988 3.305 . . . . 10.0 108.398 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -129.53 176.67 7.79 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 127.359 2.912 . . . . 10.0 111.623 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.55 91.67 3.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.032 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -98.47 50.8 0.99 Allowed 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 126.946 2.654 . . . . 10.0 114.641 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.36 -131.22 7.58 Favored Glycine 0 C--O 1.221 -0.682 0 CA-C-N 113.13 -1.85 . . . . 10.0 113.042 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.34 -19.98 20.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 127.273 2.396 . . . . 10.0 109.065 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -91.32 177.73 6.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 128.23 3.456 . . . . 10.0 112.915 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.88 96.4 5.05 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 110.967 -2.833 . . . . 10.0 110.238 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.15 116.41 28.91 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 109.682 -3.417 . . . . 10.0 114.478 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 m -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.643 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.8 m -112.84 135.6 51.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 O-C-N 125.293 1.621 . . . . 10.0 114.808 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB3' ' HG2' ' A' ' 104' ' ' ARG . 33.9 mt-30 -117.18 93.55 4.22 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 127.221 2.825 . . . . 10.0 108.275 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -39.25 -50.5 1.97 Allowed 'General case' 0 C--O 1.217 -0.642 0 O-C-N 128.794 3.809 . . . . 10.0 112.379 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 31.26 -127.34 0.2 Allowed Glycine 0 C--O 1.217 -0.921 1 O-C-N 129.552 4.283 . . . . 10.0 112.086 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -168.64 36.91 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.445 -2.878 . . . . 10.0 110.132 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HG3' ' NH1' ' A' ' 104' ' ' ARG . 17.6 mmtt -125.33 173.67 8.67 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 84.74 2.51 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 114.153 -1.385 . . . . 10.0 114.675 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.1 -94.43 0.65 Allowed Glycine 0 C--O 1.213 -1.197 0 N-CA-C 108.262 -1.935 . . . . 10.0 108.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.466 ' HG2' ' HB3' ' A' ' 97' ' ' GLN . 3.7 ttm180 48.57 86.27 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 109.906 -3.147 . . . . 10.0 114.734 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.89 134.2 2.17 Favored Glycine 0 C--O 1.213 -1.168 0 CA-C-N 113.438 -1.71 . . . . 10.0 112.742 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -102.3 147.07 27.13 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -140.93 123.91 16.35 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 126.567 2.417 . . . . 10.0 109.576 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.72 146.85 38.02 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.253 2.221 . . . . 10.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.486 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -159.71 149.24 18.19 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.997 -2.82 . . . . 10.0 113.522 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 26.2 mt -106.38 149.1 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.176 0 CA-C-N 111.702 -2.499 . . . . 10.0 110.301 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -110.07 -97.72 0.4 Allowed 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 112.302 -2.226 . . . . 10.0 113.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.42 -82.62 1.68 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 107.84 -2.104 . . . . 10.0 107.84 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -132.04 28.9 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 126.315 1.833 . . . . 10.0 109.168 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -144.95 128.55 17.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 111.288 -2.687 . . . . 10.0 111.581 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.838 HD12 ' CD2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -75.75 135.2 40.32 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.903 1.335 . . . . 10.0 112.087 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -124.54 107.79 11.42 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.834 -1.985 . . . . 10.0 111.409 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 128' ' ' GLN . 13.4 tp -105.38 151.78 23.77 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.57 113.17 15.76 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 112.157 -2.292 . . . . 10.0 111.87 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.7 mtm -112.34 133.6 54.35 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.382 1.563 . . . . 10.0 112.353 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? -140.58 142.81 35.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 110.893 -2.867 . . . . 10.0 112.389 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -175.72 132.34 0.27 Allowed 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 110.84 -2.891 . . . . 10.0 113.924 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 62.8 19.13 11.26 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 127.842 3.214 . . . . 10.0 112.602 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 93.29 -5.98 75.1 Favored Glycine 0 C--N 1.351 1.378 0 O-C-N 120.812 -1.18 . . . . 10.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 22' ' ' ALA . 86.8 t -83.95 135.59 24.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 114.668 -0.766 . . . . 10.0 108.986 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 100.75 9.79 Favored 'General case' 0 CA--C 1.505 -0.766 0 O-C-N 126.378 2.299 . . . . 10.0 113.129 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 133.09 53.43 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 114.001 -1.454 . . . . 10.0 108.978 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.07 117.09 19.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 125.308 2.48 . . . . 10.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.446 ' HB2' HD23 ' A' ' 117' ' ' LEU . 47.0 mt-30 -101.73 152.28 21.04 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.664 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.47 134.04 43.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -134.61 135.03 41.88 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 126.015 2.072 . . . . 10.0 109.302 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.4 tptm -90.3 137.64 32.18 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 125.117 2.389 . . . . 10.0 114.468 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -98.36 128.33 44.72 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 112.917 -1.947 . . . . 10.0 108.101 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.8 t -98.89 -47.72 12.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 113.166 -1.833 . . . . 10.0 108.929 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.26 1.638 0 CA-C-O 115.694 -2.098 . . . . 10.0 114.533 -179.834 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.8 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.85 -0.02 9.12 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 125.75 1.906 . . . . 10.0 114.389 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 39.1 t-20 -70.83 145.06 50.54 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-O 121.703 0.763 . . . . 10.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 5' ' ' ASN . . . 143.85 -125.31 2.46 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 123.71 1.728 . . . . 10.0 110.599 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.8 119.39 2.9 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 113.506 -1.347 . . . . 10.0 112.345 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.508 ' CH2' ' HE2' ' A' ' 132' ' ' LYS . 4.1 m95 -122.47 153.24 39.4 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 124.542 1.151 . . . . 10.0 109.83 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -120.11 -122.85 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 127.537 3.023 . . . . 10.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -169.94 138.98 1.82 Allowed 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.362 -1.335 . . . . 10.0 110.974 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -103.3 -43.94 5.3 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.426 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -178.92 170.53 1.49 Allowed 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 126.079 2.112 . . . . 10.0 112.646 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' N ' ' OG ' ' A' ' 12' ' ' SER . 21.0 m-20 -117.36 -174.35 2.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.222 -1.808 . . . . 10.0 107.993 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.08 -44.15 0.13 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 126.714 2.508 . . . . 10.0 112.792 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -137.94 37.1 2.37 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 125.075 2.369 . . . . 10.0 109.439 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 17.0 t80 -67.8 -44.03 78.29 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 111.632 -2.531 . . . . 10.0 113.201 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -24.31 62.36 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.491 -2.141 . . . . 10.0 112.869 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' OE2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -76.39 -30.46 57.5 Favored 'General case' 0 C--O 1.21 -1.004 0 O-C-N 128.221 3.451 . . . . 10.0 111.738 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.69 -23.12 62.42 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 110.599 -3.0 . . . . 10.0 111.301 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 30' ' ' ARG . 18.5 mt -72.86 -33.12 65.91 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-O 125.14 2.4 . . . . 10.0 110.532 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.91 63.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 112.097 -2.319 . . . . 10.0 113.966 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-O 126.383 2.992 . . . . 10.0 113.332 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.54 1.25 23.22 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.351 -2.659 . . . . 10.0 110.492 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 64.63 50.84 2.04 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 113.469 -1.696 . . . . 10.0 114.735 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.546 HG11 HD22 ' A' ' 29' ' ' LEU . 22.2 t -85.71 146.87 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 112.619 -2.082 . . . . 10.0 108.024 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -51.7 157.52 1.14 Allowed 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 110.659 -2.973 . . . . 10.0 113.583 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.66 -29.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 114.661 -1.154 . . . . 10.0 112.71 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.36 69.6 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 126.548 2.405 . . . . 10.0 114.023 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -76.41 -29.14 56.95 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-O 124.509 2.099 . . . . 10.0 115.07 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.658 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.08 -29.27 54.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 111.612 -2.54 . . . . 10.0 109.621 -179.535 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -72.3 -28.76 63.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.594 2.434 . . . . 10.0 112.395 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.63 -35.12 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 CA-C-N 110.308 -3.133 . . . . 10.0 110.985 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 16' ' ' PHE . . . -63.94 -33.41 75.65 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 112.108 -2.315 . . . . 10.0 114.381 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -21.89 58.66 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.144 -2.298 . . . . 10.0 112.554 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.452 ' O ' HD22 ' A' ' 36' ' ' LEU . 15.3 mt -88.9 -1.93 58.34 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 128.134 3.396 . . . . 10.0 110.137 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 35' ' ' LEU . 2.4 mm? -119.05 126.46 51.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 126.84 2.587 . . . . 10.0 112.162 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -128.5 67.6 76.48 Favored Pre-proline 0 C--O 1.211 -0.964 0 CA-C-N 111.837 -2.438 . . . . 10.0 112.018 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.17 -171.67 0.37 Allowed 'Trans proline' 0 C--O 1.217 -0.57 0 O-C-N 128.619 3.957 . . . . 10.0 112.175 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.98 -176.9 4.4 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.718 -2.037 . . . . 10.0 110.79 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -140.42 157.89 44.84 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-N 112.806 -1.997 . . . . 10.0 113.658 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.71 94.85 2.65 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 125.176 2.417 . . . . 10.0 111.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -94.46 127.39 46.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.558 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -131.36 128.47 61.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 O-C-N 126.816 2.572 . . . . 10.0 114.375 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 149.26 50.49 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 113.038 -1.892 . . . . 10.0 110.078 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -123.85 22.12 8.97 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 112.819 -1.992 . . . . 10.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.89 -93.44 0.32 Allowed Glycine 0 C--N 1.346 1.121 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.726 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.08 -56.62 5.74 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 112.783 -1.708 . . . . 10.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -67.69 162.25 24.12 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.228 -1.805 . . . . 10.0 114.683 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.414 ' O ' HD12 ' A' ' 51' ' ' ILE . 30.6 ttp -155.6 73.39 0.84 Allowed 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.89 2.619 . . . . 10.0 113.823 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.8 mt -56.04 147.0 4.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-O 123.339 1.542 . . . . 10.0 110.115 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 49' ' ' MET . 0.7 OUTLIER -125.33 121.96 61.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-N 110.877 -2.874 . . . . 10.0 110.183 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -122.77 106.67 11.12 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 123.937 1.827 . . . . 10.0 114.502 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 m -94.35 96.32 9.46 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.41 -2.177 . . . . 10.0 108.434 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -91.85 93.23 8.73 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 128.009 3.318 . . . . 10.0 113.77 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.19 141.56 51.84 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 127.386 2.929 . . . . 10.0 107.689 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -78.34 -2.34 37.67 Favored 'General case' 0 CA--C 1.495 -1.153 0 O-C-N 127.016 2.697 . . . . 10.0 114.2 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -54.41 3.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.552 -1.204 . . . . 10.0 107.952 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -144.83 120.16 10.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 111.273 -2.694 . . . . 10.0 111.687 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -82.03 138.99 34.75 Favored 'General case' 0 CA--C 1.505 -0.77 0 O-C-N 124.677 1.236 . . . . 10.0 108.997 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 25.7 t80 -147.11 136.51 22.72 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 124.568 2.128 . . . . 10.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.35 144.06 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 111.273 -2.694 . . . . 10.0 113.558 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.83 152.56 30.82 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 125.673 1.858 . . . . 10.0 111.36 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -114.34 94.16 4.67 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 127.333 2.896 . . . . 10.0 113.17 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -80.76 119.67 23.65 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -107.81 112.2 24.73 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 127.886 3.241 . . . . 10.0 107.609 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG11 ' CE3' ' A' ' 88' ' ' TRP . 22.4 t -65.24 118.03 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.87 0 CA-C-N 113.177 -1.829 . . . . 10.0 114.527 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.21 -29.29 12.83 Favored Glycine 0 CA--C 1.501 -0.801 0 CA-C-N 112.845 -1.98 . . . . 10.0 114.889 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.38 170.03 16.93 Favored 'General case' 0 CA--C 1.497 -1.089 0 O-C-N 125.934 1.608 . . . . 10.0 114.269 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -108.83 115.14 29.52 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 112.652 -2.067 . . . . 10.0 112.652 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.92 161.03 38.56 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 113.325 -1.761 . . . . 10.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -96.34 152.6 18.44 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 124.417 2.056 . . . . 10.0 111.778 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.3 145.83 46.7 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 109.804 -3.362 . . . . 10.0 109.489 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 74' ' ' LEU . 3.1 t0 -121.41 116.92 25.65 Favored 'General case' 0 CA--C 1.504 -0.815 1 O-C-N 129.604 4.315 . . . . 10.0 114.16 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.1 mm? -105.53 47.53 0.87 Allowed 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 122.687 1.232 . . . . 10.0 109.192 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -78.99 124.13 27.96 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 111.811 -2.45 . . . . 10.0 107.127 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.94 30.81 Favored Glycine 0 C--O 1.208 -1.476 0 C-N-CA 118.186 -1.959 . . . . 10.0 108.705 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 78' ' ' ASP . 3.7 mp -105.4 -86.55 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 O-C-N 126.544 1.967 . . . . 10.0 109.091 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 77' ' ' ILE . 12.3 t70 -129.44 4.46 5.14 Favored 'General case' 0 CA--C 1.494 -1.177 0 O-C-N 126.047 2.092 . . . . 10.0 113.752 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 56.07 40.24 30.28 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.905 2.288 . . . . 10.0 107.389 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -50.82 10.77 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 109.243 -3.617 . . . . 10.0 114.3 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? 25.43 105.79 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 128.753 3.783 . . . . 10.0 115.706 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.6 m -139.07 170.91 15.11 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.594 -2.548 . . . . 10.0 113.727 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.02 157.08 19.61 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 110.574 -3.012 . . . . 10.0 108.554 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 m -150.95 136.14 17.61 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.868 1.98 . . . . 10.0 110.634 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.32 106.03 6.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 126.097 2.123 . . . . 10.0 114.133 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.0 t -82.39 131.18 34.38 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 O-C-N 127.34 2.9 . . . . 10.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -128.03 119.72 26.01 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 111.735 -2.484 . . . . 10.0 110.439 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.413 ' CE3' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -89.09 111.35 22.08 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.516 -0.765 . . . . 10.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -6.45 21.55 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 113.936 -1.483 . . . . 10.0 113.621 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.46 129.15 6.47 Favored Glycine 0 N--CA 1.465 0.568 0 C-N-CA 117.815 -2.136 . . . . 10.0 111.751 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 53.26 25.91 4.78 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.723 -2.239 . . . . 10.0 113.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt 173.36 134.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 112.155 -2.293 . . . . 10.0 109.609 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 tp -112.99 117.77 32.98 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.595 -2.548 . . . . 10.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.41 142.27 33.05 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-O 123.044 1.402 . . . . 10.0 111.712 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.1 t -138.19 96.34 3.17 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 110.874 -2.876 . . . . 10.0 111.879 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 97' ' ' GLN . 3.9 t -103.09 148.17 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 126.926 2.641 . . . . 10.0 112.435 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' ' CG1' ' A' ' 96' ' ' VAL . 5.8 mt-30 -115.04 133.52 55.97 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 126.898 2.624 . . . . 10.0 108.836 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -99.46 63.22 1.26 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 127.264 2.853 . . . . 10.0 109.997 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.65 -124.67 3.88 Favored Glycine 0 C--O 1.212 -1.226 0 CA-C-N 112.293 -2.23 . . . . 10.0 113.6 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.73 -48.66 2.02 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 111.198 -2.501 . . . . 10.0 114.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 165.42 0.14 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 127.96 3.287 . . . . 10.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -121.38 124.97 45.83 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 127.561 3.038 . . . . 10.0 114.068 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.93 7.2 59.98 Favored Glycine 0 C--O 1.209 -1.455 0 O-C-N 125.189 1.556 . . . . 10.0 109.804 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.13 164.2 25.89 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.017 -2.091 . . . . 10.0 109.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 106.9 140.69 9.81 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 110.424 -1.07 . . . . 10.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.93 167.03 10.85 Favored 'General case' 0 CA--C 1.494 -1.181 0 O-C-N 126.125 1.721 . . . . 10.0 111.786 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 107' ' ' THR . 0.9 OUTLIER -141.63 112.46 7.25 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.26 -1.791 . . . . 10.0 110.072 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.408 ' HG3' HD13 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -89.94 168.07 12.31 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.501 -2.136 . . . . 10.0 114.344 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.5 140.96 0.12 Allowed 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 126.377 2.298 . . . . 10.0 111.92 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.563 HG12 HD12 ' A' ' 115' ' ' LEU . 72.4 mt -115.63 136.22 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 O-C-N 127.432 2.958 . . . . 10.0 108.546 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.7 12.47 17.13 Favored 'General case' 0 CA--C 1.495 -1.145 0 O-C-N 127.2 2.812 . . . . 10.0 115.182 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.99 -95.26 0.43 Allowed Glycine 0 C--O 1.209 -1.412 0 CA-C-O 123.553 1.641 . . . . 10.0 111.847 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.5 34.69 3.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 113.239 -1.48 . . . . 10.0 110.615 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -163.46 118.52 1.65 Allowed 'General case' 0 C--O 1.21 -0.981 0 O-C-N 127.176 2.798 . . . . 10.0 111.954 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.563 HD12 HG12 ' A' ' 110' ' ' ILE . 0.7 OUTLIER -97.85 98.42 9.81 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-O 125.069 2.366 . . . . 10.0 113.678 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 157.67 26.71 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 110.691 -2.959 . . . . 10.0 112.869 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 108' ' ' GLN . 40.0 tp -149.93 131.47 14.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.547 2.405 . . . . 10.0 108.922 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.54 90.81 3.43 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 125.967 2.042 . . . . 10.0 111.595 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 12.9 mtt -85.68 151.89 23.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.399 -1.728 . . . . 10.0 111.422 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -149.32 152.62 36.17 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 112.625 -2.08 . . . . 10.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -178.54 123.83 0.1 Allowed 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 127.128 2.767 . . . . 10.0 109.627 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.62 40.7 20.23 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-O 125.698 2.666 . . . . 10.0 114.534 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.42 1.81 71.85 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 113.019 -1.9 . . . . 10.0 113.78 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.417 HG13 ' OE2' ' A' ' 18' ' ' GLU . 14.4 t -96.48 107.75 20.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 O-C-N 126.816 2.127 . . . . 10.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.08 148.32 24.53 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 113.399 -1.728 . . . . 10.0 112.871 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.1 t -156.11 133.91 11.12 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 123.029 1.395 . . . . 10.0 113.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -124.27 123.49 40.36 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 124.741 2.21 . . . . 10.0 112.738 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -105.71 167.84 9.5 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 112.146 -2.297 . . . . 10.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.49 HG12 HD23 ' A' ' 11' ' ' LEU . 2.3 t -129.17 129.59 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 125.57 1.794 . . . . 10.0 112.214 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -123.73 156.55 35.8 Favored 'General case' 0 CA--C 1.502 -0.893 0 O-C-N 125.451 1.719 . . . . 10.0 109.744 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.726 ' HB2' HD21 ' A' ' 11' ' ' LEU . 20.3 tptm -133.16 109.74 9.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 134' ' ' HIS . 1.2 ttmm -55.68 130.89 45.0 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-O 123.432 1.587 . . . . 10.0 114.183 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.56 -11.14 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 110.804 -2.907 . . . . 10.0 114.019 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.526 ' CE1' ' HD3' ' A' ' 132' ' ' LYS . 5.3 m-70 . . . . . 0 C--O 1.249 1.061 0 O-C-N 127.499 2.999 . . . . 10.0 111.559 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 N--CA 1.445 -0.685 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 93' ' ' LEU . 1.5 m-85 -94.47 -37.89 11.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.247 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.99 109.73 0.32 Allowed 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 128.054 3.346 . . . . 10.0 109.808 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.43 39.03 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 126.122 2.139 . . . . 10.0 113.92 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 41' ' ' GLU . 12.3 m-85 -114.49 100.87 8.62 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 124.518 2.104 . . . . 10.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.721 ' CD2' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -102.9 120.85 41.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.152 -2.749 . . . . 10.0 113.361 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.97 154.12 18.32 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 113.434 -1.712 . . . . 10.0 108.488 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.461 ' HE3' ' HB3' ' A' ' 13' ' ' ASN . 2.0 ttp -99.79 141.02 33.16 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 127.207 2.817 . . . . 10.0 108.237 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.94 -53.34 2.66 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.656 -2.975 . . . . 10.0 113.159 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -168.14 126.79 1.2 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 111.678 -2.51 . . . . 10.0 113.41 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 16' ' ' PHE . 7.7 p30 -94.82 171.92 8.48 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.173 -2.285 . . . . 10.0 112.876 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -138.51 134.09 33.48 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 128.304 3.503 . . . . 10.0 109.628 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.58 22.07 6.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 125.781 1.926 . . . . 10.0 109.633 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CG ' ' ND2' ' A' ' 13' ' ' ASN . 10.3 t80 -61.34 -51.17 69.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.43 -1.714 . . . . 10.0 113.091 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.19 -25.55 64.39 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 125.051 2.358 . . . . 10.0 112.989 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -25.97 42.71 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 108.972 -3.74 . . . . 10.0 112.43 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -75.49 -29.03 59.43 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 126.167 2.889 . . . . 10.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.76 -44.09 57.12 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 124.895 2.283 . . . . 10.0 112.202 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -62.1 -25.58 67.8 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 112.237 -2.256 . . . . 10.0 113.509 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.47 73.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 112.063 -2.335 . . . . 10.0 115.064 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.19 11.21 39.91 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 113.394 -1.73 . . . . 10.0 112.213 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.57 41.98 24.88 Favored 'General case' 0 CA--C 1.505 -0.768 0 O-C-N 128.485 3.616 . . . . 10.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.432 ' CG2' ' CB ' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -81.34 151.74 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.742 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.564 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -47.73 143.66 3.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 123.765 1.745 . . . . 10.0 112.275 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.91 -31.47 50.7 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-O 125.083 2.373 . . . . 10.0 110.383 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.39 75.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 112.1 -2.318 . . . . 10.0 112.968 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 32' ' ' ILE . 19.3 tp -65.53 -30.54 71.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.621 -1.627 . . . . 10.0 114.342 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.5 OUTLIER -72.58 -30.02 64.03 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.347 -2.661 . . . . 10.0 109.343 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.46 67.54 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 112.46 -2.155 . . . . 10.0 109.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 29' ' ' LEU . 9.5 mt -77.19 -48.96 23.8 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.152 0 O-C-N 125.74 1.9 . . . . 10.0 109.731 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.46 -23.94 52.81 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 124.487 2.089 . . . . 10.0 115.12 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -73.79 -23.42 59.69 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 110.061 -3.245 . . . . 10.0 114.569 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.49 -4.52 48.0 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 112.624 -2.08 . . . . 10.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 57' ' ' PHE . 35.0 mt -107.24 172.47 6.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 112.917 -1.947 . . . . 10.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.25 69.44 0.03 OUTLIER Pre-proline 0 CA--C 1.503 -0.865 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -60.45 168.19 6.91 Favored 'Trans proline' 0 CA--C 1.501 -1.134 0 CA-C-O 126.13 2.471 . . . . 10.0 114.941 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -109.99 149.24 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 110.409 -3.087 . . . . 10.0 107.944 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 138.44 50.85 Favored 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.076 2.11 . . . . 10.0 114.474 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 7' ' ' TYR . 20.0 tt0 -120.63 110.18 16.11 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 124.709 2.195 . . . . 10.0 110.358 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.722 HD12 ' N ' ' A' ' 42' ' ' ILE . 4.7 mp -99.45 146.72 8.15 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-N 110.605 -2.998 . . . . 10.0 112.95 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -146.44 78.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.481 -3.054 . . . . 10.0 110.013 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -55.77 168.35 0.45 Allowed 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 122.785 1.279 . . . . 10.0 113.257 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -149.45 154.38 38.74 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 109.134 -3.666 . . . . 10.0 108.191 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.46 106.27 1.01 Allowed Glycine 0 C--O 1.216 -1.002 0 CA-C-N 111.694 -2.503 . . . . 10.0 113.182 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 86.74 -17.44 0.36 Allowed 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 129.677 3.81 . . . . 10.0 113.739 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -114.36 -166.47 1.11 Allowed 'General case' 0 CA--C 1.5 -0.958 0 O-C-N 125.082 1.489 . . . . 10.0 109.233 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -171.57 133.67 0.8 Allowed 'General case' 0 C--O 1.212 -0.886 0 CA-C-O 123.055 1.407 . . . . 10.0 109.608 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.3 mt -126.03 134.26 66.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 CA-C-N 111.357 -2.656 . . . . 10.0 110.626 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mt -122.12 135.85 60.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 O-C-N 127.766 3.166 . . . . 10.0 110.227 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.2 111.91 19.44 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 113.235 -1.802 . . . . 10.0 108.487 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 54.9 m -101.36 113.9 27.39 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 109.006 -3.725 . . . . 10.0 108.191 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mt -104.45 114.14 28.16 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 127.881 3.238 . . . . 10.0 112.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 130.79 14.6 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 128.867 3.854 . . . . 10.0 108.834 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.79 -24.11 8.22 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 113.471 -1.695 . . . . 10.0 109.982 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 36' ' ' LEU . 34.2 m-85 -91.74 -20.3 21.69 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 124.59 1.181 . . . . 10.0 114.026 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 59' ' ' ASN . 23.3 ttm105 -169.12 149.53 4.24 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 124.974 2.321 . . . . 10.0 113.256 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -123.95 98.7 5.92 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 111.754 -2.475 . . . . 10.0 109.331 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.463 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 10.9 t80 -100.66 114.45 28.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 113.567 -1.651 . . . . 10.0 113.907 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.58 136.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 126.678 2.486 . . . . 10.0 109.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.2 mmm -150.87 154.28 36.92 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.81 -2.904 . . . . 10.0 111.462 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 3.5 p-10 -119.3 94.12 4.32 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 112.978 -1.919 . . . . 10.0 111.794 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -75.52 156.3 35.27 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 112.208 -2.269 . . . . 10.0 112.77 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -129.88 104.48 7.4 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 124.492 2.091 . . . . 10.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.46 123.59 23.45 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 CA-C-N 111.466 -2.606 . . . . 10.0 113.674 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.0 -20.55 43.01 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 111.983 -2.371 . . . . 10.0 112.069 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.26 153.72 30.39 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 123.966 1.841 . . . . 10.0 113.68 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -87.2 141.19 28.83 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 111.559 -2.564 . . . . 10.0 111.822 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -152.29 175.38 12.71 Favored 'General case' 0 CA--C 1.511 -0.519 0 O-C-N 126.63 2.456 . . . . 10.0 112.95 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.75 119.99 26.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.328 -2.214 . . . . 10.0 109.848 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.81 89.8 3.79 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 126.203 2.906 . . . . 10.0 113.758 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.44 107.41 1.36 Allowed 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 109.978 -3.283 . . . . 10.0 112.736 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.495 ' CD1' HD13 ' A' ' 77' ' ' ILE . 7.1 tp -105.93 39.74 1.72 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 124.453 2.073 . . . . 10.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.612 HG23 ' OD2' ' A' ' 79' ' ' ASP . 38.5 m -83.73 1.7 41.42 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.365 -1.743 . . . . 10.0 112.068 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NE ' ' A' ' 58' ' ' ARG . . . -92.41 -9.15 61.98 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 113.607 -1.633 . . . . 10.0 110.608 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.495 HD13 ' CD1' ' A' ' 74' ' ' LEU . 3.7 mp -119.61 -66.55 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 127.288 2.405 . . . . 10.0 110.216 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.432 ' CB ' ' CG2' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -123.43 -38.16 2.58 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.451 1.719 . . . . 10.0 114.959 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 75' ' ' THR . 31.7 t0 85.76 93.92 0.03 OUTLIER 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 124.659 2.171 . . . . 10.0 113.404 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -123.31 -55.27 1.76 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.11 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.93 111.11 0.06 Allowed 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 125.564 1.79 . . . . 10.0 113.3 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 -175.46 4.45 Favored 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 117.667 -1.613 . . . . 10.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.2 mtt -98.45 117.13 32.19 Favored 'General case' 0 CA--C 1.506 -0.75 0 O-C-N 126.815 2.572 . . . . 10.0 108.361 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.9 m -121.2 144.68 48.46 Favored 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 128.943 3.902 . . . . 10.0 114.381 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.6 137.84 48.57 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 110.41 -3.087 . . . . 10.0 108.784 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.13 135.62 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-N 112.561 -2.109 . . . . 10.0 109.87 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 m -126.71 136.65 52.73 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 111.757 -2.474 . . . . 10.0 113.91 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -84.7 81.12 9.01 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 127.682 3.114 . . . . 10.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.76 80.98 4.2 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.544 -3.026 . . . . 10.0 111.976 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.68 -123.05 6.26 Favored Glycine 0 C--O 1.216 -0.982 0 O-C-N 127.622 3.076 . . . . 10.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.88 11.63 31.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.349 -1.926 . . . . 10.0 111.363 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.52 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 21.2 mtmm -128.04 148.03 50.53 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 125.982 2.051 . . . . 10.0 110.348 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' A' ' 4' ' ' PHE . 6.3 tp -93.93 117.06 29.58 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.59 124.6 43.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.103 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.69 161.44 29.69 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.266 2.229 . . . . 10.0 111.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 97' ' ' GLN . 7.4 p -144.92 155.15 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-N 111.906 -2.406 . . . . 10.0 111.782 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' N ' HG22 ' A' ' 96' ' ' VAL . 28.5 mt-30 -131.33 140.51 49.75 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.749 0.656 . . . . 10.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -107.8 69.91 0.75 Allowed 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 128.288 3.492 . . . . 10.0 111.499 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -136.85 70.96 0.48 Allowed Glycine 0 C--N 1.352 1.447 0 CA-C-N 112.702 -2.044 . . . . 10.0 114.509 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 53.47 -169.52 0.05 Allowed 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 124.476 0.751 . . . . 10.0 111.324 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.64 179.15 0.08 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -141.09 120.07 12.75 Favored 'General case' 0 CA--C 1.498 -1.019 0 C-N-CA 118.806 -1.157 . . . . 10.0 111.697 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.2 -3.19 16.38 Favored Glycine 0 C--O 1.211 -1.343 0 CA-C-N 114.395 -1.275 . . . . 10.0 112.065 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.575 ' H ' ' NE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -62.77 131.22 48.13 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 124.733 2.206 . . . . 10.0 108.151 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 148.71 138.31 2.97 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 111.031 -2.804 . . . . 10.0 112.077 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -117.45 159.78 22.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 126.831 2.136 . . . . 10.0 110.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.4 m -149.87 141.73 23.76 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 111.503 -2.589 . . . . 10.0 109.391 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.69 161.21 32.14 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 128.188 3.43 . . . . 10.0 112.51 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.52 ' CE3' ' HD3' ' A' ' 92' ' ' LYS . 16.2 t-105 -168.62 136.28 2.04 Favored 'General case' 0 N--CA 1.468 0.449 1 O-C-N 129.332 4.145 . . . . 10.0 110.238 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.89 136.06 48.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 128.1 3.375 . . . . 10.0 113.223 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.18 -46.94 11.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 112.293 -2.23 . . . . 10.0 112.214 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.47 52.09 0.16 Allowed Glycine 0 C--O 1.213 -1.192 0 O-C-N 127.259 2.849 . . . . 10.0 110.829 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 159.38 -33.38 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 112.191 -2.004 . . . . 10.0 112.7 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.72 137.87 35.5 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 127.832 3.207 . . . . 10.0 110.637 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -95.54 133.13 39.91 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.773 -2.012 . . . . 10.0 111.239 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -121.98 100.55 7.04 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 110.502 -3.044 . . . . 10.0 112.114 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 128' ' ' GLN . 1.3 tp -103.15 146.65 28.08 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 124.632 2.158 . . . . 10.0 109.842 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.06 100.32 5.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.119 -2.31 . . . . 10.0 111.965 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 9.3 mtt -88.1 146.56 25.37 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.718 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -138.7 153.4 48.52 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 114.272 -1.331 . . . . 10.0 112.972 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 175.78 138.55 0.05 Allowed 'General case' 0 C--O 1.209 -1.039 0 O-C-N 123.831 0.707 . . . . 10.0 112.183 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.32 20.35 4.59 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 125.584 1.802 . . . . 10.0 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.88 19.19 58.29 Favored Glycine 0 N--CA 1.473 1.134 0 CA-C-O 123.004 1.335 . . . . 10.0 111.736 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 44.4 t -107.21 143.82 17.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 114.332 -0.934 . . . . 10.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 98.7 m -122.46 103.36 8.66 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 124.828 1.33 . . . . 10.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -114.68 121.31 42.98 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 125.778 1.924 . . . . 10.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -109.83 141.5 42.42 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 126.91 2.631 . . . . 10.0 109.587 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.496 ' HB2' HD23 ' A' ' 117' ' ' LEU . 17.5 mt-30 -121.56 114.56 21.38 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 111.853 -2.431 . . . . 10.0 111.29 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.78 125.47 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 127.224 2.827 . . . . 10.0 113.234 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.483 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 39.7 m-85 -113.93 165.07 12.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 114.998 -1.001 . . . . 10.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -144.1 95.86 2.79 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.939 -1.482 . . . . 10.0 114.096 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -49.8 126.21 13.45 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.031 -1.895 . . . . 10.0 113.473 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.4 t -103.01 -15.81 7.79 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 O-C-N 124.868 1.355 . . . . 10.0 113.494 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 C--O 1.257 1.468 0 O-C-N 125.307 1.629 . . . . 10.0 112.946 -179.821 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--O 1.207 -1.133 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -78.32 -8.1 58.02 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 127.302 2.876 . . . . 10.0 113.993 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -66.54 129.65 40.56 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 118.669 -1.212 . . . . 10.0 112.526 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.82 -173.27 22.69 Favored Glycine 0 C--O 1.21 -1.362 0 O-C-N 126.735 2.522 . . . . 10.0 108.785 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 41' ' ' GLU . 3.3 m-85 -103.41 149.75 24.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 128.599 3.176 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.71 ' CE3' HD12 ' A' ' 115' ' ' LEU . 1.7 m95 -148.88 115.1 5.81 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 126.553 2.408 . . . . 10.0 111.571 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -97.33 161.55 13.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 127.338 2.899 . . . . 10.0 108.367 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.436 ' HE3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.87 127.9 44.92 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.772 3.17 . . . . 10.0 109.781 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 11' ' ' LEU . 1.1 mm? -85.69 -67.75 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 O-C-N 125.646 1.841 . . . . 10.0 111.299 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 p -147.37 172.35 14.04 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.954 -2.839 . . . . 10.0 111.22 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -123.54 -176.48 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 125.156 1.535 . . . . 10.0 109.984 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.28 -45.74 0.63 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 113.907 1.077 . . . . 10.0 113.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.75 39.41 1.14 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 126.246 2.927 . . . . 10.0 113.012 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.624 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 27.2 t80 -69.07 -29.73 67.9 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 112.119 -2.309 . . . . 10.0 113.294 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.88 -38.76 64.3 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.012 -1.449 . . . . 10.0 114.166 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.35 -26.84 62.99 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.686 -1.143 . . . . 10.0 111.97 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.581 ' HA ' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -70.82 -36.59 73.0 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 127.611 3.069 . . . . 10.0 112.293 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 20' ' ' LEU . 24.6 mt -67.9 -23.49 65.11 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 110.773 -2.921 . . . . 10.0 114.953 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -71.86 -26.87 62.53 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.033 -1.439 . . . . 10.0 112.729 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.15 92.87 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 127.46 2.975 . . . . 10.0 115.017 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.29 1.57 57.01 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 126.766 2.541 . . . . 10.0 112.507 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.01 48.45 10.78 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.983 -2.372 . . . . 10.0 112.566 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.77 129.75 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 113.159 -1.837 . . . . 10.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 1.7 m120 -49.59 158.0 0.49 Allowed 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 122.338 1.066 . . . . 10.0 112.6 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.62 -23.36 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 113.084 -1.871 . . . . 10.0 112.852 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.28 72.95 Favored 'General case' 0 CA--C 1.499 -0.997 0 O-C-N 126.224 2.202 . . . . 10.0 112.394 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -30.63 61.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.852 -1.522 . . . . 10.0 111.812 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -77.78 -24.53 48.89 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 125.317 2.484 . . . . 10.0 114.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -36.48 63.16 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 110.502 -3.045 . . . . 10.0 108.535 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -42.33 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.875 0 CA-C-N 109.031 -3.713 . . . . 10.0 111.445 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.624 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -59.6 -35.72 74.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 113.697 -1.592 . . . . 10.0 115.222 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.15 -22.87 64.83 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 122.525 1.155 . . . . 10.0 114.095 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -112.43 20.44 16.67 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 123.562 1.649 . . . . 10.0 113.351 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -75.76 0.47 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.509 -2.132 . . . . 10.0 113.234 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 49.07 72.29 1.31 Allowed Pre-proline 0 C--O 1.208 -1.125 0 CA-C-O 125.578 2.609 . . . . 10.0 108.0 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' HE3' ' A' ' 10' ' ' MET . 11.8 Cg_exo -61.55 152.37 73.85 Favored 'Trans proline' 0 CA--C 1.499 -1.251 0 CA-C-N 111.508 -1.997 . . . . 10.0 114.849 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -107.78 88.21 2.68 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 127.606 3.066 . . . . 10.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.11 155.33 24.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -139.39 110.21 6.76 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.872 -2.877 . . . . 10.0 107.792 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.3 mt -108.8 134.79 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 O-C-N 128.45 3.594 . . . . 10.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.75 102.81 3.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 111.64 -2.527 . . . . 10.0 112.834 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.39 145.29 32.08 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.98 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -158.87 90.36 0.99 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.133 -2.303 . . . . 10.0 114.284 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.66 -109.81 2.89 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 110.568 -3.014 . . . . 10.0 111.446 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.61 0.01 41.25 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 119.647 -0.821 . . . . 10.0 109.861 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -98.29 157.83 15.94 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.758 1.911 . . . . 10.0 110.705 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -150.89 79.92 1.32 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-O 123.687 1.708 . . . . 10.0 108.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.8 mt -70.21 140.22 18.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-O 124.441 2.067 . . . . 10.0 111.065 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 51' ' ' ILE . 1.9 mt -134.84 122.21 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 112.703 -2.044 . . . . 10.0 111.563 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -108.64 172.93 6.56 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 123.827 1.775 . . . . 10.0 109.917 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 60' ' ' TYR . 11.4 m -153.82 105.16 2.75 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.616 -2.993 . . . . 10.0 110.991 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 mt -107.04 126.35 52.22 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 110.924 -2.853 . . . . 10.0 111.781 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -139.75 -46.68 0.45 Allowed 'General case' 0 C--O 1.208 -1.107 0 O-C-N 127.78 3.175 . . . . 10.0 112.825 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 55' ' ' SER . 5.4 t 117.34 -7.75 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.746 1 O-C-N 130.726 5.016 . . . . 10.0 109.966 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -96.74 -58.18 2.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 110.965 -2.834 . . . . 10.0 108.341 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.99 130.91 42.04 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 108.913 -3.767 . . . . 10.0 110.772 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -103.04 95.33 6.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.39 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.462 ' CB ' ' HB ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -97.33 138.8 34.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 112.842 -1.981 . . . . 10.0 112.817 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.3 mp -142.48 126.07 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 CA-C-N 109.735 -3.393 . . . . 10.0 109.53 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -143.55 104.69 4.25 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 127.586 3.054 . . . . 10.0 113.197 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 77.48 1.64 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.173 -1.83 . . . . 10.0 108.213 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.713 ' CE1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.36 114.73 9.74 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 112.031 -2.35 . . . . 10.0 112.517 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.39 135.01 42.49 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 126.079 2.112 . . . . 10.0 111.997 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.4 130.94 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 124.471 1.107 . . . . 10.0 112.436 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.19 87.08 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-O 124.537 2.187 . . . . 10.0 114.357 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.14 138.96 54.36 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.238 -1.981 . . . . 10.0 113.398 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -106.61 145.98 31.26 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 125.811 1.944 . . . . 10.0 113.335 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -154.32 177.93 10.59 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 111.817 -2.447 . . . . 10.0 109.17 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -83.53 145.7 28.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 124.33 2.014 . . . . 10.0 108.513 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -123.37 80.35 1.77 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 109.699 -3.409 . . . . 10.0 109.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.69 94.22 0.12 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.081 -3.236 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 74' ' ' LEU . 3.5 tp -111.75 46.64 1.11 Allowed 'General case' 0 C--O 1.208 -1.117 0 O-C-N 127.86 3.225 . . . . 10.0 107.873 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 11.3 t -95.85 17.53 15.03 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 109.499 -3.5 . . . . 10.0 113.943 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 77' ' ' ILE . . . -124.91 0.25 8.37 Favored Glycine 0 C--O 1.222 -0.634 0 CA-C-N 112.64 -2.073 . . . . 10.0 112.914 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 77' ' ' ILE . 2.3 mp -108.09 -60.65 2.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-O 125.285 2.469 . . . . 10.0 106.977 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 23.4 p-10 -125.16 4.05 7.87 Favored 'General case' 0 C--O 1.213 -0.852 1 CA-C-N 108.399 -4.001 . . . . 10.0 112.724 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 3.7 m-20 71.45 38.96 0.96 Allowed 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 126.223 2.202 . . . . 10.0 114.891 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.08 -172.15 2.62 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 121.938 0.875 . . . . 10.0 112.807 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.25 153.46 25.64 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.643 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.39 162.38 3.54 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.242 2.214 . . . . 10.0 113.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.8 mtt -88.61 126.99 35.55 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 111.867 -2.424 . . . . 10.0 112.299 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 m -121.9 146.55 47.01 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 125.427 1.704 . . . . 10.0 113.868 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.2 173.14 11.8 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 111.569 -2.559 . . . . 10.0 109.543 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.713 HG23 ' CE1' ' A' ' 64' ' ' PHE . 15.9 t -142.87 129.78 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 125.24 2.448 . . . . 10.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.8 p -135.01 101.48 4.9 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 111.36 -2.655 . . . . 10.0 113.865 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -74.08 149.64 41.0 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 124.359 2.028 . . . . 10.0 111.664 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -102.54 -54.76 2.59 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 113.657 -1.61 . . . . 10.0 109.304 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.46 98.24 0.25 Allowed Glycine 0 C--O 1.211 -1.289 0 CA-C-O 118.049 -1.417 . . . . 10.0 110.966 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 t70 106.5 -11.9 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.75 1 O-C-N 130.469 4.276 . . . . 10.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -132.68 -179.69 5.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 126.818 2.574 . . . . 10.0 108.947 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 tp -147.7 126.72 12.82 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 127.241 2.838 . . . . 10.0 113.282 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -119.47 140.63 50.15 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.578 -1.646 . . . . 10.0 113.363 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.3 t -136.09 98.56 3.9 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 124.904 1.377 . . . . 10.0 109.728 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -96.16 146.45 7.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 1 O-C-N 129.4 4.188 . . . . 10.0 114.003 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.87 124.95 47.31 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 110.387 -3.097 . . . . 10.0 108.935 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -58.87 -53.14 61.71 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 126.331 2.269 . . . . 10.0 110.591 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 38.42 -153.93 0.02 OUTLIER Glycine 0 C--N 1.348 1.222 0 O-C-N 126.902 2.626 . . . . 10.0 114.421 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . 0.255 38.4 mm-40 -135.3 21.87 3.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 111.26 -2.47 . . . . 10.0 108.938 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.43 -165.24 0.98 Allowed 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 126.309 2.256 . . . . 10.0 111.763 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.87 109.54 7.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 112.358 -2.201 . . . . 10.0 111.766 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.62 -18.88 22.18 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 110.743 -2.935 . . . . 10.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.47 148.66 6.61 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.682 2.048 . . . . 10.0 109.721 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.57 112.34 3.17 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-N 109.621 -3.445 . . . . 10.0 107.476 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.472 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -88.06 138.38 31.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 123.386 1.565 . . . . 10.0 115.062 -179.366 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.27 144.48 31.29 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 109.704 -3.407 . . . . 10.0 107.111 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.41 ' NE2' HD22 ' A' ' 115' ' ' LEU . 7.7 tt0 -149.18 165.8 30.75 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 126.943 3.259 . . . . 10.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -163.29 157.23 19.96 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 110.217 -3.174 . . . . 10.0 110.487 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -115.73 148.2 18.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 CA-C-N 114.187 -1.37 . . . . 10.0 114.55 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.63 -137.48 0.33 Allowed 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 113.324 -1.762 . . . . 10.0 110.223 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.12 -102.12 0.01 OUTLIER Glycine 0 C--O 1.21 -1.347 0 CA-C-O 126.187 3.104 . . . . 10.0 113.668 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -112.73 34.47 4.37 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.351 -1.924 . . . . 10.0 113.351 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.83 165.76 26.63 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 112.291 -2.231 . . . . 10.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.71 HD12 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -125.62 134.56 51.85 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 125.937 2.023 . . . . 10.0 109.488 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -138.56 132.64 31.42 Favored 'General case' 0 CA--C 1.503 -0.862 0 O-C-N 125.93 2.019 . . . . 10.0 111.927 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -137.67 155.97 48.55 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 126.367 2.292 . . . . 10.0 109.797 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -114.48 88.98 2.98 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 111.36 -2.654 . . . . 10.0 109.44 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -72.83 129.06 37.32 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.473 -2.603 . . . . 10.0 111.988 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -131.66 158.1 41.99 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 126.14 2.15 . . . . 10.0 111.497 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' VAL . . . -179.34 130.92 0.11 Allowed 'General case' 0 N--CA 1.471 0.581 0 O-C-N 127.378 2.924 . . . . 10.0 113.053 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 46.82 39.27 7.06 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 126.803 2.564 . . . . 10.0 113.861 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.74 11.11 85.75 Favored Glycine 0 C--N 1.348 1.21 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.805 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' ' 19' ' ' TYR . 8.0 t -98.55 153.02 4.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-O 121.119 0.485 . . . . 10.0 110.542 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.8 m -133.73 121.7 22.3 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 114.525 -1.216 . . . . 10.0 113.349 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -133.05 124.21 27.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -105.29 105.06 14.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 125.032 2.349 . . . . 10.0 115.191 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.573 ' HG3' HD21 ' A' ' 117' ' ' LEU . 3.3 mt-30 -88.3 142.3 27.85 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 112.103 -2.317 . . . . 10.0 108.451 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.2 t -125.05 102.37 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 126.691 2.494 . . . . 10.0 112.09 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 1.9 m-30 -88.47 170.97 10.44 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 126.078 2.111 . . . . 10.0 108.4 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -148.79 134.72 19.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 113.272 -1.785 . . . . 10.0 110.28 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.536 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 2.4 tppp? -73.93 136.52 43.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 112.525 -2.125 . . . . 10.0 112.499 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.52 -37.27 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-N 111.604 -2.544 . . . . 10.0 113.252 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 115.361 -2.257 . . . . 10.0 109.222 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.508 -0.643 0 CA-C-O 121.077 0.465 . . . . 10.0 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 42' ' ' ILE . 52.0 m-85 -80.91 -36.22 31.41 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 126.887 2.617 . . . . 10.0 113.2 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.12 144.27 7.21 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 124.987 2.327 . . . . 10.0 113.278 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.63 -159.49 21.52 Favored Glycine 0 CA--C 1.505 -0.554 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.769 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -115.54 122.25 45.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 125.696 1.469 . . . . 10.0 113.038 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 4.1 m95 -125.8 120.71 31.27 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 114.208 1.188 . . . . 10.0 114.208 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -102.78 -174.81 2.64 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 128.156 3.41 . . . . 10.0 108.472 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.44 -177.19 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.793 1.308 . . . . 10.0 110.94 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 mt -152.69 -53.21 0.11 Allowed 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 125.038 2.351 . . . . 10.0 114.684 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -144.48 158.53 43.71 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 111.462 -2.608 . . . . 10.0 113.734 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 1.1 m120 -133.68 157.83 44.79 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 124.733 2.206 . . . . 10.0 110.472 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -157.22 120.6 4.1 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 111.421 -2.627 . . . . 10.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 79.98 3.64 2.0 Allowed 'General case' 0 C--O 1.211 -0.959 0 O-C-N 127.53 3.019 . . . . 10.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -66.15 -29.27 69.54 Favored 'General case' 0 C--O 1.208 -1.11 0 O-C-N 123.861 0.726 . . . . 10.0 112.86 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -78.35 -42.04 31.72 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 125.846 2.736 . . . . 10.0 108.909 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -70.44 -28.4 65.01 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 109.39 -3.55 . . . . 10.0 114.055 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.484 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.8 t80 -75.02 -24.34 58.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.633 -2.076 . . . . 10.0 111.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.6 mt -72.15 -27.99 62.96 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 125.817 2.722 . . . . 10.0 112.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -71.52 -24.97 62.06 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 111.46 -2.609 . . . . 10.0 109.921 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 19' ' ' TYR . . . -69.3 -38.4 78.26 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 128.358 3.536 . . . . 10.0 110.507 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -103.52 21.91 15.22 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 45.37 71.79 0.25 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 128.882 3.864 . . . . 10.0 112.876 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.0 143.79 13.76 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.075 0 CA-C-N 112.908 -1.951 . . . . 10.0 108.209 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -53.32 159.63 1.33 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 125.367 2.508 . . . . 10.0 111.801 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 t -73.66 -39.53 53.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 110.509 -3.041 . . . . 10.0 113.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -72.82 -30.16 63.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 113.615 -1.63 . . . . 10.0 112.661 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.16 -28.21 57.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.522 1.153 . . . . 10.0 111.998 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.82 -29.43 50.64 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 113.028 -1.897 . . . . 10.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.61 -39.12 70.67 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 112.994 -1.912 . . . . 10.0 110.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 28' ' ' ALA . 21.2 mt -77.64 -25.23 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 110.491 -3.049 . . . . 10.0 112.466 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.36 67.59 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.179 -1.373 . . . . 10.0 112.982 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -77.42 -27.49 52.28 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.547 -1.66 . . . . 10.0 111.793 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mt -104.02 42.65 1.16 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.233 0.613 . . . . 10.0 111.771 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.665 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -131.53 -72.16 0.55 Allowed 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 126.473 2.358 . . . . 10.0 111.758 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt 51.9 70.86 1.69 Allowed Pre-proline 0 C--O 1.208 -1.11 0 CA-C-N 114.068 -1.423 . . . . 10.0 112.382 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 22.9 Cg_endo -68.44 171.43 12.97 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 O-C-N 124.885 1.992 . . . . 10.0 113.629 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -119.44 134.46 55.21 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 110.088 -3.233 . . . . 10.0 108.853 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -98.63 141.24 31.7 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 127.32 2.887 . . . . 10.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.44 105.93 8.65 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 127.423 2.952 . . . . 10.0 108.069 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 4' ' ' PHE . 5.4 mt -100.6 144.44 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 C-N-CA 116.667 -2.013 . . . . 10.0 109.535 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.7 103.26 2.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.594 -1.639 . . . . 10.0 109.178 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -77.07 135.97 38.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 126.301 2.251 . . . . 10.0 109.428 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.11 49.21 1.95 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 124.922 2.296 . . . . 10.0 109.662 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.02 -91.71 0.53 Allowed Glycine 0 C--O 1.21 -1.351 0 CA-C-N 110.474 -3.057 . . . . 10.0 111.54 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.27 -54.82 11.1 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 123.055 1.407 . . . . 10.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -74.85 156.73 36.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.578 -2.101 . . . . 10.0 112.538 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.03 78.59 1.35 Allowed 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.703 -2.953 . . . . 10.0 109.054 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 62' ' ' MET . 3.6 mt -78.86 128.48 38.44 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 111.761 -2.472 . . . . 10.0 112.873 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.586 HD13 ' CE ' ' A' ' 62' ' ' MET . 4.0 mp -114.21 138.05 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 110.358 -3.11 . . . . 10.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -120.67 101.46 7.75 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 109.983 -3.28 . . . . 10.0 113.497 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 m -89.07 86.47 6.91 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 114.381 -1.281 . . . . 10.0 109.274 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -79.34 96.01 5.87 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 125.812 1.945 . . . . 10.0 114.224 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -132.88 122.41 24.33 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.677 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.78 1.07 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 126.493 3.044 . . . . 10.0 114.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.665 ' HB2' HD21 ' A' ' 36' ' ' LEU . 5.6 t80 -82.25 -57.44 3.38 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 110.557 -3.02 . . . . 10.0 110.265 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.96 127.87 29.43 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 124.849 2.261 . . . . 10.0 113.512 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -99.01 86.1 3.39 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.458 -1.701 . . . . 10.0 111.689 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.95 130.25 36.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 126.898 2.624 . . . . 10.0 113.527 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' MET . 5.7 mt -136.85 152.59 28.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 126.177 2.173 . . . . 10.0 112.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.586 ' CE ' HD13 ' A' ' 51' ' ' ILE . 5.6 mtm -144.72 177.78 8.45 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 111.997 -2.365 . . . . 10.0 109.477 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -140.07 46.9 1.83 Allowed 'General case' 0 CA--C 1.502 -0.892 0 O-C-N 127.692 3.12 . . . . 10.0 109.144 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 70' ' ' PHE . 1.3 m-85 -45.7 105.81 0.07 Allowed 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 113.56 -1.655 . . . . 10.0 114.05 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 10.6 mt-30 -88.72 120.41 30.09 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 125.964 2.04 . . . . 10.0 108.372 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.92 110.44 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 114.653 1.353 . . . . 10.0 114.653 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.43 -15.05 57.79 Favored Glycine 0 C--O 1.214 -1.118 0 O-C-N 127.614 3.071 . . . . 10.0 111.793 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 5.3 tptt -98.28 150.45 21.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.368 -2.416 . . . . 10.0 111.757 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -98.54 119.64 37.6 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 111.406 -2.633 . . . . 10.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.497 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 18.0 p90 -136.97 153.59 50.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 123.957 0.903 . . . . 10.0 112.303 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -76.47 115.79 16.56 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 127.14 2.775 . . . . 10.0 112.553 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -105.35 117.94 35.3 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 126.004 2.065 . . . . 10.0 112.823 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.52 106.87 18.78 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 125.609 2.623 . . . . 10.0 110.934 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.3 mt -96.33 58.54 1.79 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 125.203 2.43 . . . . 10.0 108.83 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 t -101.88 141.28 34.97 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 110.809 -2.905 . . . . 10.0 107.238 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.81 -0.64 70.2 Favored Glycine 0 C--O 1.218 -0.901 0 N-CA-C 108.725 -1.75 . . . . 10.0 108.725 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -64.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 O-C-N 127.769 2.688 . . . . 10.0 107.561 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.96 11.66 1.6 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 109.773 -3.376 . . . . 10.0 114.017 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 t70 55.74 72.99 0.45 Allowed 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.08 147.57 5.59 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.295 -0.86 . . . . 10.0 109.445 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -129.13 143.0 50.71 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 126.309 2.256 . . . . 10.0 108.552 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.96 -178.56 7.39 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 114.94 -1.027 . . . . 10.0 109.203 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.1 mtt -98.18 126.97 43.87 Favored 'General case' 0 C--O 1.208 -1.125 0 O-C-N 125.496 1.748 . . . . 10.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 8.9 m -119.72 140.5 50.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 112.7 -2.045 . . . . 10.0 114.615 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 m -136.61 134.25 37.17 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.816 -1.993 . . . . 10.0 112.926 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.2 t -97.77 148.67 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 113.051 -1.886 . . . . 10.0 108.389 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.4 t -114.13 -44.37 3.14 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 125.072 1.483 . . . . 10.0 112.727 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 93' ' ' LEU . 8.4 t90 70.93 94.03 0.08 Allowed 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.487 2.367 . . . . 10.0 112.049 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.83 107.36 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 113.331 -1.759 . . . . 10.0 107.84 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -40.77 94.16 0.01 OUTLIER Glycine 0 C--O 1.213 -1.21 0 O-C-N 129.023 3.952 . . . . 10.0 113.612 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 136.2 -47.57 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.111 4.065 . . . . 10.0 111.542 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -136.9 107.36 6.48 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 111.595 -2.548 . . . . 10.0 112.555 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 88' ' ' TRP . 7.0 tt -54.02 139.35 34.83 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.848 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HG3' HG23 ' A' ' 107' ' ' THR . 7.6 mt-30 -134.69 136.39 42.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.346 -1.297 . . . . 10.0 113.757 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 59.4 m -120.13 113.45 20.48 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 126.45 2.344 . . . . 10.0 109.47 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.35 135.53 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 O-C-N 126.976 2.672 . . . . 10.0 113.721 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.413 ' NE2' ' CZ2' ' A' ' 106' ' ' TRP . 10.8 mt-30 -120.23 137.89 53.96 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 113.736 -1.575 . . . . 10.0 107.839 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -48.09 51.65 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 110.35 -3.114 . . . . 10.0 113.47 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 26.83 -121.87 0.05 OUTLIER Glycine 0 C--O 1.219 -0.835 0 O-C-N 128.245 3.466 . . . . 10.0 113.71 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -167.02 37.09 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.897 0 O-C-N 126.751 2.089 . . . . 10.0 112.206 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HB3' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -119.38 -173.75 2.58 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 111.793 -2.458 . . . . 10.0 113.837 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -74.8 -71.55 0.34 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 112.233 -2.258 . . . . 10.0 116.08 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -104.71 -6.42 40.68 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-O 117.038 -1.979 . . . . 10.0 115.019 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -10.83 71.97 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.055 3.312 . . . . 10.0 115.501 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 103' ' ' GLY . . . -175.09 158.83 26.78 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 110.938 -2.846 . . . . 10.0 111.537 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.413 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 1.3 m0 -124.12 152.23 43.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.727 -1.237 . . . . 10.0 113.619 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 94' ' ' GLN . 90.7 m -134.81 143.34 47.01 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.961 3.288 . . . . 10.0 110.667 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.72 142.18 48.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 124.035 1.874 . . . . 10.0 110.693 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -147.05 123.93 11.29 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 110.996 -2.82 . . . . 10.0 110.266 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.49 135.23 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 124.073 1.892 . . . . 10.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -125.76 70.17 1.2 Allowed 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 124.079 1.895 . . . . 10.0 111.275 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.32 -97.71 1.58 Allowed Glycine 0 C--O 1.216 -0.984 0 CA-C-N 113.558 -1.656 . . . . 10.0 113.01 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.58 24.97 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.444 0.732 . . . . 10.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.9 142.14 28.47 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 123.63 1.681 . . . . 10.0 112.415 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.73 123.59 35.24 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 109.391 -3.55 . . . . 10.0 113.404 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.35 103.89 13.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 112.061 -2.336 . . . . 10.0 109.938 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.5 tp -102.95 137.06 41.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 123.754 1.74 . . . . 10.0 113.571 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.34 103.7 7.79 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.822 -1.99 . . . . 10.0 111.01 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 7.5 mtm -105.13 154.71 19.81 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 113.371 -1.74 . . . . 10.0 111.47 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -150.13 145.8 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.617 -2.538 . . . . 10.0 113.128 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.8 117.99 0.19 Allowed 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 111.984 -2.371 . . . . 10.0 114.314 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.82 30.27 6.35 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.94 -2.391 . . . . 10.0 114.464 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.38 -6.21 77.99 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-N 113.034 -1.894 . . . . 10.0 112.127 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.7 t -84.88 152.45 3.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 N-CA-C 108.463 -0.94 . . . . 10.0 108.463 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.2 m -126.77 106.62 9.48 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 128.438 3.586 . . . . 10.0 108.953 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.1 t -106.08 133.88 50.09 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.884 -1.053 . . . . 10.0 108.652 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -131.19 111.79 12.25 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 126.827 2.579 . . . . 10.0 109.172 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -103.47 133.02 49.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.088 2.118 . . . . 10.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.88 79.8 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 C-N-CA 117.475 -1.69 . . . . 10.0 115.398 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -82.82 148.12 27.96 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 126.451 2.345 . . . . 10.0 108.338 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -126.66 142.91 51.39 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 127.418 2.949 . . . . 10.0 114.17 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.65 148.46 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 110.285 -3.143 . . . . 10.0 109.109 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.61 -61.1 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 CA-C-N 115.11 -0.95 . . . . 10.0 111.914 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.348 0 CA-C-O 113.701 -3.047 . . . . 10.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.495 -1.164 0 CA-C-O 121.136 0.493 . . . . 10.0 109.892 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.606 ' CE1' HD11 ' A' ' 110' ' ' ILE . 66.9 m-85 -106.98 24.63 12.48 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 113.457 0.91 . . . . 10.0 113.457 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -96.31 137.09 35.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.081 1.42 . . . . 10.0 108.704 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.83 -131.39 5.59 Favored Glycine 0 C--O 1.216 -0.969 0 CA-C-O 126.251 3.139 . . . . 10.0 109.687 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -143.58 150.71 39.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.504 -2.348 . . . . 10.0 112.762 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.5 m95 -145.73 156.02 43.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 113.935 -1.484 . . . . 10.0 107.83 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -143.17 -179.75 6.58 Favored 'General case' 0 C--O 1.217 -0.618 1 O-C-N 130.34 4.775 . . . . 10.0 108.35 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.11 160.23 19.32 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 124.682 2.182 . . . . 10.0 113.192 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -146.03 -57.16 0.3 Allowed 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.392 -2.64 . . . . 10.0 110.563 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.52 162.71 39.1 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 129.123 4.014 . . . . 10.0 110.117 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.78 130.31 41.68 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 109.488 -3.506 . . . . 10.0 109.491 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.87 122.82 39.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 113.903 -1.499 . . . . 10.0 113.609 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.67 31.15 1.3 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 126.303 2.954 . . . . 10.0 114.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 20' ' ' LEU . 47.9 t80 -65.58 -38.94 90.97 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 111.591 -2.55 . . . . 10.0 114.572 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -20.93 51.46 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 110.788 -2.915 . . . . 10.0 113.725 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -76.63 -42.29 42.78 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 110.809 -2.905 . . . . 10.0 109.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.416 ' HA ' HG11 ' A' ' 124' ' ' VAL . 18.3 t80 -65.13 -24.11 67.32 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.636 2.46 . . . . 10.0 111.803 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 25' ' ' VAL . 28.6 mt -74.07 -42.57 59.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 113.203 -1.817 . . . . 10.0 112.264 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -53.47 -23.92 11.53 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.477 1.911 . . . . 10.0 115.452 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -75.89 -22.18 56.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.149 -0.932 . . . . 10.0 113.18 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.16 22.78 15.14 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.214 -1.812 . . . . 10.0 112.859 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 48.66 57.76 5.98 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.751 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.774 HG21 HD22 ' A' ' 20' ' ' LEU . 1.2 t -90.08 143.82 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.091 0 CA-C-N 113.116 -1.857 . . . . 10.0 108.913 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -68.63 137.1 53.94 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.795 -2.457 . . . . 10.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -20.73 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.903 -2.408 . . . . 10.0 114.996 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.66 -31.25 41.44 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 124.739 1.275 . . . . 10.0 110.141 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 9.8 tp -74.32 -23.83 59.11 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.275 -2.693 . . . . 10.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -68.95 -32.8 72.66 Favored 'General case' 0 C--O 1.211 -0.922 1 O-C-N 129.215 4.072 . . . . 10.0 111.254 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -41.16 58.34 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 109.766 -3.379 . . . . 10.0 113.711 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.42 -29.69 18.96 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.098 0 O-C-N 127.142 2.776 . . . . 10.0 109.176 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -68.24 -26.83 65.89 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 111.992 -2.367 . . . . 10.0 113.03 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -25.99 68.32 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 112.859 -1.973 . . . . 10.0 113.96 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -112.24 11.26 20.18 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 109.086 -3.688 . . . . 10.0 110.711 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 38' ' ' PRO . 2.0 tt -108.48 101.25 10.43 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 127.937 3.273 . . . . 10.0 112.266 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -143.36 75.64 16.7 Favored Pre-proline 0 CA--C 1.507 -0.683 0 O-C-N 128.653 3.721 . . . . 10.0 108.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' HD23 ' A' ' 36' ' ' LEU . 5.3 Cg_exo -62.8 166.67 13.4 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 124.164 3.243 . . . . 10.0 114.357 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.0 152.15 20.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 111.826 -2.443 . . . . 10.0 109.081 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HB3' HD11 ' A' ' 42' ' ' ILE . 23.4 mttt -123.34 127.94 49.21 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 125.449 2.547 . . . . 10.0 111.262 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -115.18 104.08 11.49 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 111.026 -2.806 . . . . 10.0 109.894 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 40' ' ' LYS . 4.8 mp -104.99 146.5 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 O-C-N 124.976 1.422 . . . . 10.0 112.1 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 t -133.24 85.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 112.324 -2.216 . . . . 10.0 113.439 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 126.37 29.18 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 111.668 -2.514 . . . . 10.0 110.215 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.62 67.15 0.69 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 110.278 -3.147 . . . . 10.0 110.983 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.04 -115.58 4.93 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 111.533 -2.576 . . . . 10.0 111.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.94 -6.26 48.91 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.206 1.955 . . . . 10.0 112.519 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 129.3 43.03 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.018 -2.355 . . . . 10.0 109.611 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.11 66.1 1.55 Allowed 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 126.698 3.142 . . . . 10.0 109.101 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.434 HG21 ' HE ' ' A' ' 52' ' ' ARG . 22.1 mt -52.67 102.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.516 0 CA-C-N 110.197 -3.183 . . . . 10.0 113.086 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.6 mt -97.59 122.53 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 O-C-N 127.835 3.209 . . . . 10.0 108.633 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HE ' HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -114.88 99.61 7.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.858 -2.428 . . . . 10.0 115.158 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.09 111.15 22.69 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 109.869 -3.332 . . . . 10.0 107.649 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.89 116.02 31.2 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 111.934 -2.394 . . . . 10.0 114.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.3 137.42 27.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 124.718 2.199 . . . . 10.0 108.224 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -55.98 -23.46 32.61 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.702 -2.044 . . . . 10.0 112.433 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -81.37 -48.29 12.14 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 112.717 -2.038 . . . . 10.0 110.668 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 59' ' ' ASN . 14.0 ttm-85 -164.32 148.26 9.58 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 114.088 -1.414 . . . . 10.0 111.651 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.6 m120 -117.92 126.03 51.59 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 122.194 0.997 . . . . 10.0 109.463 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -115.42 82.7 1.8 Allowed 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 113.708 -1.587 . . . . 10.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.7 124.36 38.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 112.8 -2.0 . . . . 10.0 109.822 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.7 mtp -121.55 136.5 54.95 Favored 'General case' 0 C--O 1.207 -1.133 0 O-C-N 128.695 3.747 . . . . 10.0 111.4 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -113.73 54.92 0.73 Allowed 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 110.818 -2.901 . . . . 10.0 107.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -35.52 137.16 0.2 Allowed 'General case' 0 CA--C 1.503 -0.842 0 O-C-N 128.611 3.695 . . . . 10.0 113.247 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -138.73 92.25 2.6 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 125.402 2.525 . . . . 10.0 108.252 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.426 HG22 HG12 ' A' ' 86' ' ' VAL . 55.2 t -58.04 133.42 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.985 0 CA-C-N 110.342 -3.117 . . . . 10.0 111.737 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.06 -6.1 83.91 Favored Glycine 0 C--O 1.214 -1.15 0 O-C-N 125.374 1.671 . . . . 10.0 112.291 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -114.93 118.68 34.14 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.713 0.768 . . . . 10.0 110.082 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 152.43 1.15 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 113.85 -1.523 . . . . 10.0 114.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.4 161.65 19.62 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 111.176 -2.738 . . . . 10.0 113.502 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -134.22 56.58 1.84 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 143.79 9.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 110.668 -2.969 . . . . 10.0 113.899 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.4 ' CB ' ' HD2' ' A' ' 81' ' ' LYS . 4.5 p-10 -142.78 114.43 8.03 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.119 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.414 HD12 ' HD3' ' A' ' 80' ' ' ARG . 41.3 mt -106.11 57.89 0.66 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.495 -2.593 . . . . 10.0 113.369 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.563 HG22 ' OD1' ' A' ' 79' ' ' ASP . 72.0 p -82.33 0.44 41.68 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 127.343 2.902 . . . . 10.0 111.681 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.52 -3.43 53.17 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 114.269 -1.332 . . . . 10.0 110.386 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -127.05 -65.39 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 126.034 1.667 . . . . 10.0 113.401 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.47 12.28 1.93 Allowed 'General case' 0 C--N 1.34 0.184 0 O-C-N 125.15 1.531 . . . . 10.0 113.98 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' OD1' HG22 ' A' ' 75' ' ' THR . 17.4 t70 43.0 97.12 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 126.494 2.371 . . . . 10.0 114.346 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.414 ' HD3' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -128.31 -43.79 1.44 Allowed 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HD2' ' CB ' ' A' ' 73' ' ' ASP . 1.1 mptm? 61.2 101.87 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.854 1.788 . . . . 10.0 113.494 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.7 m -140.43 -178.63 5.58 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.553 -1.203 . . . . 10.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.99 143.67 39.64 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.512 HG23 ' OE1' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -133.96 168.31 19.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.345 1.545 . . . . 10.0 112.698 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.492 ' H ' HG22 ' A' ' 84' ' ' THR . 0.2 OUTLIER -146.92 125.17 12.21 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 111.311 -2.677 . . . . 10.0 109.662 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.582 HG21 ' CE2' ' A' ' 64' ' ' PHE . 49.1 t -109.03 101.03 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 123.812 1.767 . . . . 10.0 111.596 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.1 -171.23 1.99 Allowed 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 112.83 -1.987 . . . . 10.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 5.3 p-90 -129.3 121.96 28.59 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.238 -2.255 . . . . 10.0 113.045 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.99 103.6 8.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 112.902 -1.953 . . . . 10.0 109.54 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.8 -103.39 1.98 Allowed Glycine 0 C--O 1.22 -0.729 0 O-C-N 127.184 2.802 . . . . 10.0 110.562 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.51 25.17 2.65 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 128.731 3.254 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -132.16 122.63 25.62 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 110.222 -3.172 . . . . 10.0 113.011 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.2 102.05 0.99 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-N 111.601 -2.545 . . . . 10.0 108.667 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -102.81 132.56 48.9 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 113.431 -1.713 . . . . 10.0 109.676 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.69 98.09 4.1 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 124.972 2.32 . . . . 10.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.89 162.73 3.03 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 110.39 -3.095 . . . . 10.0 109.855 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.539 ' HB2' ' HD3' ' A' ' 104' ' ' ARG . 2.8 mm100 -124.89 157.63 35.49 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 114.551 -1.204 . . . . 10.0 111.737 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 67.31 1.44 Allowed 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 124.681 2.181 . . . . 10.0 112.901 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.88 -155.38 31.5 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 120.089 -1.632 . . . . 10.0 112.629 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.58 -51.95 5.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.929 -2.135 . . . . 10.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 177.11 8.1 Favored 'General case' 0 C--O 1.205 -1.283 0 O-C-N 126.469 2.356 . . . . 10.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.889 ' CD ' ' HB1' ' A' ' 121' ' ' ALA . 0.0 OUTLIER 70.78 136.4 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.128 1 O-C-N 131.119 5.262 . . . . 10.0 110.904 178.98 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.04 61.53 0.99 Allowed Glycine 0 CA--C 1.504 -0.595 0 CA-C-N 115.475 -0.784 . . . . 10.0 112.829 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.583 ' HG3' ' HG2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -71.47 130.14 40.54 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 124.688 2.185 . . . . 10.0 110.812 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.75 114.79 0.31 Allowed Glycine 0 N--CA 1.469 0.867 0 CA-C-N 111.704 -2.498 . . . . 10.0 109.692 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -110.77 152.6 26.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 126.734 2.079 . . . . 10.0 112.991 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 132.62 43.27 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 127.261 2.851 . . . . 10.0 112.391 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -103.12 108.78 20.1 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.171 2.795 . . . . 10.0 110.073 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -133.47 136.82 45.37 Favored 'General case' 0 C--O 1.21 -0.992 1 O-C-N 130.078 4.611 . . . . 10.0 109.928 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.606 HD11 ' CE1' ' A' ' 4' ' ' PHE . 2.6 mp -111.32 135.39 50.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 O-C-N 126.417 2.323 . . . . 10.0 114.108 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -106.64 47.98 0.86 Allowed 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 126.577 2.423 . . . . 10.0 113.751 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.405 ' H ' HG22 ' A' ' 110' ' ' ILE . . . 57.14 88.52 0.02 OUTLIER Glycine 0 C--N 1.349 1.303 0 CA-C-N 111.783 -2.462 . . . . 10.0 113.612 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 t0 70.41 36.32 1.77 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 110.801 -2.7 . . . . 10.0 113.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -160.18 102.2 1.42 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 128.207 3.442 . . . . 10.0 109.435 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.509 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 7.0 tt -74.51 99.84 3.7 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.809 -2.45 . . . . 10.0 109.497 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -99.64 92.11 5.19 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 123.582 1.658 . . . . 10.0 114.754 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.505 HD23 ' SD ' ' A' ' 119' ' ' MET . 13.8 tp -85.24 133.28 34.18 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 113.986 -1.461 . . . . 10.0 107.546 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.72 111.71 22.87 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 128.533 3.646 . . . . 10.0 110.485 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.505 ' SD ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -115.3 149.95 37.03 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 124.963 1.415 . . . . 10.0 111.166 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 24.2 mtm-85 -147.23 152.24 38.0 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 112.436 -2.165 . . . . 10.0 111.603 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.889 ' HB1' ' CD ' ' A' ' 102' ' ' GLU . . . 173.41 140.1 0.04 OUTLIER 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.979 -1.464 . . . . 10.0 110.28 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 45.6 36.24 2.49 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 127.777 3.173 . . . . 10.0 113.439 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.76 24.48 76.93 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-N 111.965 -2.38 . . . . 10.0 112.529 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.615 HG21 ' HB2' ' A' ' 22' ' ' ALA . 3.3 t -114.85 115.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 127.0 2.236 . . . . 10.0 109.798 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.5 m -103.44 132.17 49.92 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 123.938 1.828 . . . . 10.0 113.656 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 147.04 20.49 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 126.229 2.919 . . . . 10.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.29 142.58 35.69 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 110.221 -3.172 . . . . 10.0 111.26 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -99.47 126.32 45.37 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 113.687 -1.597 . . . . 10.0 109.629 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.21 112.09 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 111.82 -2.445 . . . . 10.0 108.41 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -122.62 173.89 7.43 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 113.04 -1.891 . . . . 10.0 109.516 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.37 145.49 31.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 127.977 3.298 . . . . 10.0 113.376 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 12.2 tttt -96.55 138.32 34.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 111.399 -2.637 . . . . 10.0 110.027 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.84 -50.3 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 113.88 -1.509 . . . . 10.0 112.994 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.383 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 124.247 1.975 . . . . 10.0 110.742 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' HB3' HG21 ' A' ' 42' ' ' ILE . 10.0 m-85 -91.17 -32.26 15.88 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 112.977 -1.919 . . . . 10.0 110.046 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.24 88.83 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 111.398 -2.637 . . . . 10.0 111.74 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.22 167.58 39.29 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-O 124.776 2.32 . . . . 10.0 113.131 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.45 109.37 20.95 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-N 111.174 -2.513 . . . . 10.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.6 ' CZ3' HD13 ' A' ' 42' ' ' ILE . 2.7 m0 -103.16 108.61 19.87 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 113.298 -1.774 . . . . 10.0 111.866 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 131' ' ' LYS . 5.4 ptmt -106.55 141.29 38.08 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 125.162 1.538 . . . . 10.0 107.043 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.82 -178.47 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.9 3.238 . . . . 10.0 114.991 -179.223 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' HG2' ' A' ' 10' ' ' MET . 0.4 OUTLIER -158.17 -61.78 0.08 Allowed 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 108.994 -3.73 . . . . 10.0 109.051 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -179.09 148.06 0.37 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 127.283 2.864 . . . . 10.0 111.361 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' HB3' ' HG2' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -126.9 150.75 49.15 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 110.181 -3.19 . . . . 10.0 112.217 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -121.98 151.67 40.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.645 -2.98 . . . . 10.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.01 24.03 7.34 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 112.658 -2.065 . . . . 10.0 110.966 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -75.92 -35.99 59.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.801 -1.545 . . . . 10.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.24 -36.67 61.26 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 125.183 1.552 . . . . 10.0 112.39 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -75.62 -28.88 59.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.673 -1.603 . . . . 10.0 112.055 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.9 t80 -68.75 -28.45 66.81 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 127.357 2.91 . . . . 10.0 113.848 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 20' ' ' LEU . 72.9 mt -73.99 -38.9 63.98 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 112.107 -2.315 . . . . 10.0 109.929 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -65.47 -24.89 67.27 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 127.112 2.757 . . . . 10.0 113.956 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.68 70.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 126.031 2.082 . . . . 10.0 114.021 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 10.6 mt -98.68 9.27 43.68 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 126.742 2.526 . . . . 10.0 109.628 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.9 75.54 0.21 Allowed 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 126.57 2.419 . . . . 10.0 109.92 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.66 144.4 24.48 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 CA-C-N 111.485 -2.598 . . . . 10.0 111.534 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -43.3 146.28 0.48 Allowed 'General case' 0 C--N 1.345 0.37 0 O-C-N 128.167 3.417 . . . . 10.0 113.015 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' NH2' ' A' ' 30' ' ' ARG . 4.3 p -75.99 -20.22 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 123.255 1.502 . . . . 10.0 110.4 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.83 59.9 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 123.169 1.462 . . . . 10.0 109.63 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tp -79.83 -28.63 40.11 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 113.744 -1.571 . . . . 10.0 112.815 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' NH2' HG23 ' A' ' 27' ' ' VAL . 11.0 ttm180 -75.14 -33.93 61.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 110.693 -2.958 . . . . 10.0 109.187 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -72.53 -39.45 67.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 128.186 3.429 . . . . 10.0 111.752 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.678 ' O ' HD23 ' A' ' 36' ' ' LEU . 23.7 mt -73.24 -44.6 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 CA-C-N 109.53 -3.486 . . . . 10.0 109.725 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.66 67.98 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 123.433 1.587 . . . . 10.0 113.746 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -33.87 69.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 123.897 1.808 . . . . 10.0 113.027 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.33 11.79 35.35 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 113.378 -1.737 . . . . 10.0 112.966 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -82.85 -74.42 0.36 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 125.977 2.048 . . . . 10.0 114.484 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.37 71.18 1.48 Allowed Pre-proline 0 CA--C 1.51 -0.569 0 C-N-CA 118.188 -1.405 . . . . 10.0 112.255 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -72.88 -177.79 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.82 1.68 . . . . 10.0 113.617 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.55 112.21 7.12 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 123.945 1.831 . . . . 10.0 109.125 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.23 148.84 24.17 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 110.742 -2.936 . . . . 10.0 113.902 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -136.58 102.36 4.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 127.581 3.051 . . . . 10.0 109.438 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.6 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mp -96.32 135.4 30.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 113.153 -1.84 . . . . 10.0 110.848 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -122.63 101.01 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 O-C-N 126.695 2.497 . . . . 10.0 113.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -82.94 122.05 27.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 111.583 -2.553 . . . . 10.0 110.698 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -120.51 16.66 12.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.209 -0.932 . . . . 10.0 112.062 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.09 -82.56 0.35 Allowed Glycine 0 N--CA 1.467 0.734 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.2 -52.01 4.89 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 110.81 -2.695 . . . . 10.0 109.646 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.97 127.55 33.19 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 111.896 -2.411 . . . . 10.0 110.452 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.77 59.94 1.28 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 110.784 -2.916 . . . . 10.0 109.261 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 62' ' ' MET . 6.1 mt -43.59 129.4 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-N 109.549 -3.478 . . . . 10.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 ' HB2' ' A' ' 64' ' ' PHE . 2.6 mt -116.49 127.81 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 112.267 -2.242 . . . . 10.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.39 144.31 50.87 Favored 'General case' 0 C--O 1.208 -1.086 0 O-C-N 124.521 1.138 . . . . 10.0 111.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.525 ' C ' HD23 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -137.91 120.53 16.19 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 110.283 -3.144 . . . . 10.0 111.46 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.525 HD23 ' C ' ' A' ' 53' ' ' THR . 1.2 mt -111.26 76.71 0.99 Allowed 'General case' 0 C--O 1.216 -0.66 0 O-C-N 128.994 3.934 . . . . 10.0 107.726 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 8.8 p -82.33 -4.36 57.1 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 110.904 -2.862 . . . . 10.0 112.788 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 m 62.01 21.64 12.5 Favored 'General case' 0 C--O 1.209 -1.048 0 O-C-N 125.912 2.008 . . . . 10.0 113.287 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 36' ' ' LEU . 2.8 m-85 -141.66 -68.21 0.39 Allowed 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.143 -2.299 . . . . 10.0 109.681 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -129.78 88.4 2.67 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 112.829 -1.987 . . . . 10.0 112.015 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -54.07 106.59 0.2 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 111.23 -2.714 . . . . 10.0 110.492 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -106.59 113.76 27.45 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 123.162 1.458 . . . . 10.0 113.882 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 61' ' ' ILE . 5.3 mp -120.97 135.69 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 113.245 -1.798 . . . . 10.0 110.374 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 50' ' ' ILE . 8.2 mmt -146.47 165.04 30.61 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 110.08 -3.236 . . . . 10.0 112.016 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -127.14 70.79 1.3 Allowed 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.714 1.259 . . . . 10.0 110.006 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.452 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -65.45 104.92 1.06 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 128.732 3.77 . . . . 10.0 110.526 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 62.8 mt-30 -96.66 146.21 25.06 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.906 -1.952 . . . . 10.0 109.499 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.78 132.83 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.92 43.7 5.45 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.272 -1.786 . . . . 10.0 109.711 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 1.2 tpmp? -111.08 -48.62 3.09 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 114.552 1.315 . . . . 10.0 114.552 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 86.99 132.68 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.91 0 O-C-N 127.424 2.953 . . . . 10.0 111.914 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 6.6 p90 -161.26 168.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 124.277 1.989 . . . . 10.0 112.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.3 145.91 41.42 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.135 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.02 107.65 4.84 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.306 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 114.42 23.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 112.134 -2.303 . . . . 10.0 110.315 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.3 mm? -96.01 53.22 1.36 Allowed 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 111.661 -2.518 . . . . 10.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.4 p -70.86 -3.63 20.08 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.612 -1.631 . . . . 10.0 114.793 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.52 1.09 32.53 Favored Glycine 0 N--CA 1.471 1.014 0 C-N-CA 119.693 -1.241 . . . . 10.0 113.165 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.6 mt -117.96 -70.43 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 112.329 -1.936 . . . . 10.0 110.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -150.03 27.41 0.78 Allowed 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 114.153 1.168 . . . . 10.0 114.153 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 35.07 92.87 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.902 0 O-C-N 128.795 3.81 . . . . 10.0 114.64 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -129.66 100.14 5.4 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 109.533 -3.485 . . . . 10.0 110.195 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 123.38 33.46 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 116.667 -2.013 . . . . 10.0 108.811 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -158.09 171.5 20.11 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 128.528 3.643 . . . . 10.0 111.686 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.402 ' HB2' ' HD3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -107.73 126.42 52.59 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 128.533 3.645 . . . . 10.0 107.359 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 97' ' ' GLN . 8.6 m -109.8 151.66 26.7 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 125.911 2.007 . . . . 10.0 114.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.14 134.61 28.03 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 110.147 -3.206 . . . . 10.0 107.679 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.26 109.21 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 O-C-N 127.329 2.893 . . . . 10.0 114.224 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 t -98.17 141.96 30.44 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.282 0.989 . . . . 10.0 111.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' TRP . 0.0 OUTLIER -107.31 25.88 10.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.826 -1.079 . . . . 10.0 113.905 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -2.06 -66.85 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 127.482 2.989 . . . . 10.0 115.951 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.66 -97.74 0.49 Allowed Glycine 0 C--O 1.214 -1.147 0 CA-C-O 124.334 2.074 . . . . 10.0 111.583 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -109.99 27.25 9.78 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.437 1.589 . . . . 10.0 113.631 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.75 -178.36 7.24 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.719 -1.582 . . . . 10.0 112.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.44 119.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 126.171 2.169 . . . . 10.0 112.57 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.14 102.51 8.19 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.827 1.775 . . . . 10.0 108.433 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.0 t -87.71 128.59 35.3 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 110.745 -2.934 . . . . 10.0 113.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.43 131.9 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.124 0 CA-C-N 113.198 -1.819 . . . . 10.0 112.664 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.508 ' HG2' HG23 ' A' ' 84' ' ' THR . 34.7 mt-30 -104.2 137.5 42.03 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 111.723 -2.489 . . . . 10.0 107.573 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 83' ' ' MET . 4.5 ptmt -93.61 51.54 1.59 Allowed 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 124.956 2.312 . . . . 10.0 114.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.46 158.74 15.46 Favored Glycine 0 C--O 1.219 -0.794 0 CA-C-N 112.171 -2.286 . . . . 10.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -51.91 158.59 1.0 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 118.081 -0.962 . . . . 10.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 105.88 136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 1 O-C-N 130.108 4.63 . . . . 10.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -97.16 132.24 43.13 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 112.04 -2.345 . . . . 10.0 110.035 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.07 1.79 Allowed Glycine 0 C--O 1.211 -1.34 0 N-CA-C 108.18 -1.968 . . . . 10.0 108.18 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -34.53 130.5 0.37 Allowed 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 129.165 3.509 . . . . 10.0 110.8 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.86 110.46 1.35 Allowed Glycine 0 C--O 1.213 -1.183 0 CA-C-N 112.723 -2.035 . . . . 10.0 109.409 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.732 ' CH2' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.58 177.8 0.19 Allowed 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 114.438 -0.881 . . . . 10.0 112.406 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m 179.92 129.21 0.09 Allowed 'General case' 0 C--O 1.22 -0.497 0 O-C-N 127.764 3.165 . . . . 10.0 110.079 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 109' ' ' TRP . 25.2 tt0 -139.03 147.01 41.52 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 111.479 -2.6 . . . . 10.0 114.377 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.425 ' N ' ' HG2' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -157.62 124.3 4.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 110.891 -2.868 . . . . 10.0 109.546 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.3 mt -84.3 151.23 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.162 0 CA-C-N 110.756 -2.929 . . . . 10.0 112.689 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.43 -64.14 1.31 Allowed 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 123.632 1.682 . . . . 10.0 112.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.16 -102.12 1.03 Allowed Glycine 0 CA--C 1.503 -0.717 0 N-CA-C 109.088 -1.605 . . . . 10.0 109.088 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -118.34 17.97 13.75 Favored 'General case' 0 CA--C 1.494 -1.19 0 CA-C-O 122.332 1.063 . . . . 10.0 109.738 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.49 109.88 11.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 111.944 -2.389 . . . . 10.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 116' ' ' HIS . 0.5 OUTLIER -78.03 119.11 21.01 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 125.894 1.996 . . . . 10.0 112.605 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.548 ' N ' HD23 ' A' ' 115' ' ' LEU . 45.7 t-80 -116.48 152.7 33.5 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 129.008 3.943 . . . . 10.0 108.461 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.732 HD22 ' CH2' ' A' ' 106' ' ' TRP . 1.2 pp -156.3 149.31 24.15 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 111.123 -2.762 . . . . 10.0 109.24 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -125.85 79.29 1.82 Allowed 'General case' 0 CA--C 1.494 -1.19 0 CA-C-N 114.393 -1.276 . . . . 10.0 113.439 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.571 ' CG ' ' HB3' ' A' ' 126' ' ' CYS . 23.0 ptm -74.01 166.65 23.0 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 127.574 3.046 . . . . 10.0 108.787 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -144.97 153.12 41.18 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 111.728 -2.487 . . . . 10.0 108.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -166.57 103.09 0.59 Allowed 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 126.71 2.506 . . . . 10.0 113.441 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 76.25 26.06 0.97 Allowed 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 123.555 1.645 . . . . 10.0 113.81 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.55 -17.08 58.94 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 121.02 -1.05 . . . . 10.0 112.105 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 125' ' ' THR . 12.6 t -77.21 166.35 2.74 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.067 0 CA-C-N 111.216 -2.492 . . . . 10.0 108.658 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.511 ' N ' HG12 ' A' ' 124' ' ' VAL . 24.2 m -140.88 112.65 7.62 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 112.951 -1.932 . . . . 10.0 110.323 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.571 ' HB3' ' CG ' ' A' ' 119' ' ' MET . 2.2 t -98.19 142.03 30.37 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 125.55 2.595 . . . . 10.0 113.906 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -117.55 100.43 7.64 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.321 -2.112 . . . . 10.0 113.631 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HG2' ' HB3' ' A' ' 13' ' ' ASN . 67.6 mt-30 -103.11 117.82 35.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.6 t -113.06 116.42 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 O-C-N 125.599 1.812 . . . . 10.0 114.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' MET . 8.7 m-85 -114.45 141.25 47.92 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.171 1.462 . . . . 10.0 109.497 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 tptt -99.61 118.41 36.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 125.528 2.585 . . . . 10.0 112.554 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 133' ' ' VAL . 4.6 ttmt -65.93 133.56 51.15 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 124.84 2.257 . . . . 10.0 108.732 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 132' ' ' LYS . 90.3 t -104.39 -38.43 4.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 CA-C-N 110.927 -2.851 . . . . 10.0 114.396 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--O 1.261 1.68 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.277 -179.905 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 122.198 0.999 . . . . 10.0 109.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -72.82 -12.29 60.93 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 113.466 -1.697 . . . . 10.0 112.708 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.42 126.87 14.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.59 -2.096 . . . . 10.0 113.717 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.7 -171.59 34.28 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-O 124.924 2.402 . . . . 10.0 109.772 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CE1' ' HG2' ' A' ' 41' ' ' GLU . 1.2 m-85 -117.43 87.3 2.68 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 109.914 -3.143 . . . . 10.0 109.061 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.632 ' CD1' HD12 ' A' ' 42' ' ' ILE . 1.7 m95 -86.6 146.44 26.34 Favored 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 127.108 3.337 . . . . 10.0 113.379 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -154.1 136.59 15.06 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 109.254 -3.612 . . . . 10.0 110.96 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.7 ttm -78.28 132.04 37.33 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 111.818 -2.446 . . . . 10.0 111.396 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 131' ' ' LYS . 7.0 mt -98.04 -45.69 6.16 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 110.022 -3.263 . . . . 10.0 111.213 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 p -148.68 164.21 35.02 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-N 109.63 -3.441 . . . . 10.0 109.866 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -145.38 171.95 13.87 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 123.755 1.74 . . . . 10.0 109.641 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.71 140.24 18.81 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 123.817 1.77 . . . . 10.0 109.506 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 59.31 26.78 15.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 110.983 -2.826 . . . . 10.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.64 ' HE1' ' HB1' ' A' ' 33' ' ' ALA . 27.2 t80 -69.01 -32.66 72.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 124.644 2.164 . . . . 10.0 113.061 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.22 -33.37 61.36 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.425 -2.17 . . . . 10.0 112.877 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.45 -26.91 41.65 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 112.553 -2.112 . . . . 10.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -76.44 -25.26 54.22 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 123.7 1.714 . . . . 10.0 113.918 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 30' ' ' ARG . 68.9 mt -76.67 -35.75 57.74 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 112.827 -1.988 . . . . 10.0 110.28 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -76.11 -20.12 57.92 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 127.411 2.944 . . . . 10.0 113.249 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.33 67.48 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.768 3.167 . . . . 10.0 114.855 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 23' ' ' LEU . 68.3 mt -105.32 13.87 29.76 Favored 'General case' 0 C--O 1.21 -0.979 0 O-C-N 126.422 2.326 . . . . 10.0 112.99 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 49.26 35.95 8.48 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.887 1.803 . . . . 10.0 111.702 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.604 HG11 HD22 ' A' ' 29' ' ' LEU . 23.9 t -50.46 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 113.5 -1.682 . . . . 10.0 111.379 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.494 ' N ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER 174.19 148.87 0.08 Allowed 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 125.049 1.34 . . . . 10.0 110.351 179.494 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 t -76.37 -31.52 20.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -77.88 -23.58 48.76 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 111.211 -2.722 . . . . 10.0 113.248 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD22 HG11 ' A' ' 25' ' ' VAL . 3.8 tt -78.12 -33.89 50.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 123.522 1.629 . . . . 10.0 108.259 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HA ' HD13 ' A' ' 20' ' ' LEU . 4.5 ttp180 -65.9 -34.81 78.99 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 111.967 -2.378 . . . . 10.0 112.288 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 35' ' ' LEU . 4.1 mttp -65.7 -41.8 91.91 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 113.205 -1.816 . . . . 10.0 112.259 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.3 mp -76.87 -38.82 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 CA-C-N 110.259 -3.155 . . . . 10.0 112.397 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.64 ' HB1' ' HE1' ' A' ' 16' ' ' PHE . . . -58.13 -23.0 53.43 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 120.324 -1.485 . . . . 10.0 114.274 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -72.32 -29.88 64.25 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.855 1.788 . . . . 10.0 114.555 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 31' ' ' LYS . 1.2 mp -100.06 18.81 17.61 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.344 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.711 HD12 ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -145.49 135.27 23.49 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 126.486 3.041 . . . . 10.0 113.056 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -134.07 91.27 24.2 Favored Pre-proline 0 CA--C 1.51 -0.582 0 CA-C-N 111.213 -2.721 . . . . 10.0 108.273 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' HD12 ' A' ' 36' ' ' LEU . 21.8 Cg_exo -56.58 179.17 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.075 0 O-C-N 127.425 3.329 . . . . 10.0 114.614 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.11 158.77 43.71 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 111.204 -2.725 . . . . 10.0 108.558 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.608 ' CG ' ' HB2' ' A' ' 8' ' ' TRP . 1.7 ptpp? -137.41 160.63 38.55 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.073 -2.785 . . . . 10.0 115.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 23.0 mt-10 -136.36 97.79 3.67 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 111.292 -2.686 . . . . 10.0 111.964 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.632 HD12 ' CD1' ' A' ' 8' ' ' TRP . 19.8 mt -91.78 122.8 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 O-C-N 128.414 3.571 . . . . 10.0 111.452 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -126.92 91.65 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.868 0 CA-C-N 112.886 -1.961 . . . . 10.0 110.747 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.36 160.04 7.19 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 127.687 3.117 . . . . 10.0 110.078 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.01 74.81 0.15 Allowed 'General case' 0 CA--C 1.498 -1.031 0 O-C-N 126.652 2.47 . . . . 10.0 112.971 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.28 -100.11 0.5 Allowed Glycine 0 C--O 1.21 -1.371 0 CA-C-O 123.945 1.859 . . . . 10.0 113.396 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.71 -35.0 16.98 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.96 -2.12 . . . . 10.0 110.574 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -82.07 135.41 35.33 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 113.054 -1.885 . . . . 10.0 113.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.0 ttm -122.5 108.22 12.92 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 127.087 2.742 . . . . 10.0 112.011 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.8 mt -106.04 125.43 61.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 112.145 -2.298 . . . . 10.0 113.092 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.92 116.36 44.46 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 113.039 -1.891 . . . . 10.0 110.017 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD2' HG12 ' A' ' 61' ' ' ILE . 2.4 mmm180 -97.12 171.07 8.69 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 124.201 1.953 . . . . 10.0 110.53 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -151.88 108.38 3.46 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 110.677 -2.965 . . . . 10.0 109.359 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.9 mt -98.13 104.22 16.23 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 110.606 -2.997 . . . . 10.0 113.547 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.89 119.56 13.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.176 -1.374 . . . . 10.0 109.11 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.1 p -55.01 -21.9 13.54 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 127.438 2.961 . . . . 10.0 114.86 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CE1' HG21 ' A' ' 32' ' ' ILE . 2.6 t80 -74.53 -34.54 63.01 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 125.712 2.673 . . . . 10.0 112.1 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 172.81 121.74 0.02 OUTLIER 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 111.537 -2.574 . . . . 10.0 110.773 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -86.38 132.21 34.01 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.386 -2.188 . . . . 10.0 112.625 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.483 ' CE2' ' CD1' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -100.31 -138.08 0.32 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 115.213 -2.327 . . . . 10.0 106.176 179.216 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' HD2' ' A' ' 52' ' ' ARG . 21.8 mt 127.12 139.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 1 O-C-N 129.158 4.036 . . . . 10.0 112.447 178.846 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.8 mtt -131.51 148.57 52.64 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 125.122 2.391 . . . . 10.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -119.53 32.52 6.04 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 112.598 -2.092 . . . . 10.0 110.94 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.497 ' HZ ' HG21 ' A' ' 84' ' ' THR . 0.2 OUTLIER -40.36 133.17 1.9 Allowed 'General case' 0 C--O 1.216 -0.673 0 O-C-N 126.798 2.561 . . . . 10.0 114.553 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 34.3 mt-30 -112.95 150.15 32.25 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 111.568 -2.56 . . . . 10.0 108.785 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -99.62 131.09 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 O-C-N 124.108 0.88 . . . . 10.0 111.265 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.59 -3.59 86.91 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-O 124.138 1.966 . . . . 10.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 65' ' ' GLN . 6.5 mmtm -103.19 157.28 17.11 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 112.569 -1.815 . . . . 10.0 109.194 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -131.72 109.6 10.28 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 124.272 1.987 . . . . 10.0 112.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -135.36 162.91 31.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.85 -2.886 . . . . 10.0 114.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.53 163.45 18.62 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 126.146 2.154 . . . . 10.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -141.11 102.78 4.32 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 122.549 1.166 . . . . 10.0 113.572 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.8 108.08 19.32 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 111.545 -2.571 . . . . 10.0 108.308 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.65 1.35 49.65 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.727 -2.033 . . . . 10.0 113.72 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 p -40.4 107.89 0.08 Allowed 'General case' 0 CA--C 1.495 -1.158 0 O-C-N 126.685 2.49 . . . . 10.0 115.205 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.29 -11.26 7.65 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.018 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.483 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 15.1 mt -112.5 -66.78 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-N 111.563 -2.319 . . . . 10.0 111.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.03 11.35 2.85 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 114.496 -1.229 . . . . 10.0 114.083 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 50.35 73.09 0.29 Allowed 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 124.467 2.079 . . . . 10.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -142.32 150.84 41.33 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.472 -3.058 . . . . 10.0 108.601 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -138.11 125.84 22.33 Favored 'General case' 0 CA--C 1.506 -0.721 0 O-C-N 128.783 3.802 . . . . 10.0 108.906 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 p -156.07 163.76 39.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 125.57 2.605 . . . . 10.0 112.709 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.0 mtm -92.92 115.16 27.86 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 109.434 -3.53 . . . . 10.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.497 HG21 ' HZ ' ' A' ' 64' ' ' PHE . 3.3 m -106.04 148.65 27.51 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 125.715 1.885 . . . . 10.0 115.197 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.96 134.75 17.69 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 110.286 -3.143 . . . . 10.0 113.314 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.0 t -113.96 138.17 44.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-O 125.335 2.493 . . . . 10.0 109.16 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -139.01 161.77 36.56 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 110.672 -2.967 . . . . 10.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -94.06 157.94 15.85 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.249 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -154.95 46.63 0.53 Allowed 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 126.997 2.686 . . . . 10.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.55 -91.82 1.74 Allowed Glycine 0 C--O 1.215 -1.09 0 CA-C-N 113.54 -1.664 . . . . 10.0 111.324 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.81 -51.6 3.03 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 128.279 2.988 . . . . 10.0 111.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.622 ' HD3' HG22 ' A' ' 107' ' ' THR . 6.9 ttmt -73.42 133.54 43.76 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.002 -1.908 . . . . 10.0 108.987 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 tt -111.01 114.59 28.01 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 128.269 3.48 . . . . 10.0 110.943 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.07 145.34 30.05 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 111.998 -2.365 . . . . 10.0 110.781 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 64.1 m -130.61 83.46 2.12 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 110.739 -2.937 . . . . 10.0 108.747 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.86 154.7 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.89 0 CA-C-N 113.343 -1.753 . . . . 10.0 113.685 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.47 158.52 26.08 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-O 122.29 1.043 . . . . 10.0 109.18 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -127.3 46.22 2.57 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.367 -2.197 . . . . 10.0 113.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.73 -163.89 38.55 Favored Glycine 0 CA--C 1.494 -1.279 0 CA-C-N 111.615 -2.539 . . . . 10.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.414 ' C ' ' HG2' ' A' ' 101' ' ' LYS . 45.0 mm-40 -99.68 146.46 26.48 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.358 -0.921 . . . . 10.0 113.026 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG2' ' C ' ' A' ' 100' ' ' GLU . 2.4 mmtt 87.74 176.72 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.508 1 O-C-N 130.013 4.571 . . . . 10.0 108.598 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.07 171.94 13.62 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 124.093 0.87 . . . . 10.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.6 -91.96 1.7 Allowed Glycine 0 C--O 1.211 -1.292 0 O-C-N 127.444 2.965 . . . . 10.0 114.237 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 15.91 97.3 0.0 OUTLIER 'General case' 0 C--O 1.216 -0.662 1 O-C-N 130.088 4.052 . . . . 10.0 114.237 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.06 138.91 3.55 Favored Glycine 0 C--O 1.211 -1.309 0 CA-C-N 110.86 -2.882 . . . . 10.0 112.744 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -105.12 151.84 23.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 113.434 -1.383 . . . . 10.0 114.537 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.622 HG22 ' HD3' ' A' ' 92' ' ' LYS . 1.4 m -126.11 103.31 7.64 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 110.896 -2.865 . . . . 10.0 108.232 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 146.78 23.95 Favored 'General case' 0 CA--C 1.498 -1.042 0 O-C-N 125.851 1.969 . . . . 10.0 114.967 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -151.01 134.1 15.98 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 111.222 -2.717 . . . . 10.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mt -96.79 140.84 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-O 125.508 2.575 . . . . 10.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -137.75 178.68 6.92 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 111.495 -2.593 . . . . 10.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.72 102.59 0.06 OUTLIER Glycine 0 C--O 1.211 -1.283 0 CA-C-N 112.254 -2.248 . . . . 10.0 111.507 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.03 32.39 0.11 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.924 -2.138 . . . . 10.0 113.928 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -148.81 156.05 41.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 125.918 2.011 . . . . 10.0 110.367 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.515 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -114.54 117.99 32.49 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 113.256 -1.793 . . . . 10.0 112.829 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.24 129.22 42.44 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.46 1.6 . . . . 10.0 109.151 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.5 tp -135.98 105.03 5.91 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 112.079 -2.328 . . . . 10.0 112.973 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -95.85 70.87 2.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.003 -1.453 . . . . 10.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.29 141.25 58.83 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 124.06 1.886 . . . . 10.0 109.466 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -144.73 112.35 6.19 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 110.26 -3.154 . . . . 10.0 111.496 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.02 131.32 34.82 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 113.002 -1.908 . . . . 10.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.86 22.75 10.57 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.023 -2.808 . . . . 10.0 110.271 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.7 41.29 24.43 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-O 124.761 2.312 . . . . 10.0 114.265 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.53 109.87 10.82 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 125.365 2.507 . . . . 10.0 111.367 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.2 m -81.21 130.65 35.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-N 109.752 -3.386 . . . . 10.0 113.439 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.8 t -126.53 142.34 51.57 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 111.395 -2.638 . . . . 10.0 109.178 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -136.55 114.47 11.34 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.054 1.407 . . . . 10.0 113.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.54 109.71 13.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.927 -1.942 . . . . 10.0 111.452 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.15 130.11 43.51 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-O 122.922 1.344 . . . . 10.0 113.174 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.515 ' CD2' ' HB3' ' A' ' 115' ' ' LEU . 3.8 m-30 -99.5 174.23 6.36 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 110.947 -2.842 . . . . 10.0 108.948 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.484 ' HB2' HD12 ' A' ' 11' ' ' LEU . 16.3 tptm -152.37 102.96 2.8 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.32 1.057 . . . . 10.0 110.413 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -52.47 122.08 8.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 111.279 -2.692 . . . . 10.0 114.24 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 131' ' ' LYS . 88.4 t -133.99 85.89 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 127.389 2.93 . . . . 10.0 107.694 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t60 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 114.773 -2.537 . . . . 10.0 112.861 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 . . . . . 0 CA--C 1.499 -1.015 0 CA-C-O 122.051 0.929 . . . . 10.0 112.574 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.563 ' HZ ' HD22 ' A' ' 93' ' ' LEU . 16.7 m-85 -89.57 -28.88 19.28 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -55.55 125.74 22.32 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 127.026 2.703 . . . . 10.0 110.341 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.56 -176.1 29.3 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 113.345 -1.752 . . . . 10.0 113.993 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.82 105.41 12.66 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 113.085 -1.558 . . . . 10.0 109.738 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 42' ' ' ILE . 7.2 m0 -96.33 102.22 13.98 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 113.25 -1.796 . . . . 10.0 113.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -93.17 151.97 19.51 Favored 'General case' 0 C--O 1.208 -1.126 0 O-C-N 125.683 1.864 . . . . 10.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttp -87.99 151.72 22.57 Favored 'General case' 0 C--O 1.208 -1.124 0 C-N-CA 118.65 -1.22 . . . . 10.0 113.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.63 -59.63 1.99 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-N 112.571 -2.104 . . . . 10.0 113.418 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -124.51 144.9 49.85 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 111.954 -2.384 . . . . 10.0 113.564 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.3 121.2 44.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.447 2.967 . . . . 10.0 107.865 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.66 128.83 33.83 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 125.027 1.455 . . . . 10.0 113.941 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.39 11.17 5.3 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 126.886 3.232 . . . . 10.0 114.263 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -55.79 -36.25 67.18 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 117.676 -3.14 . . . . 10.0 115.062 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.23 -40.43 67.77 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-N 113.158 -1.837 . . . . 10.0 111.918 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.46 -27.52 60.62 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.64 1.838 . . . . 10.0 111.566 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -76.8 -27.31 55.17 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 129.035 3.959 . . . . 10.0 113.13 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 25' ' ' VAL . 8.7 mt -75.04 -36.26 61.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 110.883 -2.871 . . . . 10.0 113.798 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -63.63 -31.97 73.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 111.039 -2.801 . . . . 10.0 114.338 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.77 64.62 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 111.242 -2.708 . . . . 10.0 113.838 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.67 20.52 18.72 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 125.647 2.641 . . . . 10.0 115.075 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.16 43.1 29.97 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 112.757 -2.02 . . . . 10.0 114.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 20' ' ' LEU . 53.0 t -88.25 126.83 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 C-N-CA 118.475 -1.29 . . . . 10.0 109.089 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -48.85 158.24 0.33 Allowed 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 125.113 2.387 . . . . 10.0 114.826 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.19 -21.38 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 CA-C-N 110.561 -3.018 . . . . 10.0 112.672 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.93 -54.14 6.65 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 111.699 -2.5 . . . . 10.0 111.437 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tp -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 126.061 2.101 . . . . 10.0 114.068 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HG3' HD12 ' A' ' 20' ' ' LEU . 59.0 ttp85 -76.05 -23.04 55.06 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 110.043 -3.253 . . . . 10.0 111.822 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -32.2 62.96 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 110.973 -2.831 . . . . 10.0 109.3 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.535 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.0 mm -78.69 -30.88 15.12 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 O-C-N 126.306 2.254 . . . . 10.0 110.671 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.42 67.72 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 112.281 -2.236 . . . . 10.0 114.657 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.74 -20.75 58.08 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 117.306 -1.757 . . . . 10.0 113.614 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.2 mt -96.08 11.04 35.58 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 124.802 2.239 . . . . 10.0 112.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 129.2 55.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 110.637 -2.983 . . . . 10.0 114.149 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -146.28 60.78 6.52 Favored Pre-proline 0 CA--C 1.507 -0.705 0 CA-C-N 111.468 -2.605 . . . . 10.0 108.558 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 5.5 Cg_endo -66.38 168.63 15.73 Favored 'Trans proline' 0 CA--C 1.512 -0.592 0 O-C-N 126.445 2.813 . . . . 10.0 113.617 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.15 163.5 13.28 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 110.014 -3.266 . . . . 10.0 109.385 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -125.67 131.57 52.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 126.802 2.564 . . . . 10.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.39 118.36 33.64 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.502 -2.59 . . . . 10.0 108.697 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.646 HD12 ' CH2' ' A' ' 8' ' ' TRP . 17.0 mt -123.52 124.29 69.28 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 O-C-N 125.798 1.936 . . . . 10.0 111.255 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.81 68.43 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 127.149 2.781 . . . . 10.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 4' ' ' PHE . 4.6 tt0 -50.73 121.27 5.63 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 125.864 1.978 . . . . 10.0 112.92 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -120.93 86.51 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 127.432 2.957 . . . . 10.0 112.919 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.22 -146.17 28.89 Favored Glycine 0 CA--C 1.494 -1.273 0 CA-C-O 125.203 2.557 . . . . 10.0 110.469 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -55.57 -34.49 64.82 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 111.807 -2.196 . . . . 10.0 108.796 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.32 158.22 19.72 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.07 -1.877 . . . . 10.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -135.5 127.05 28.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.838 2.586 . . . . 10.0 109.692 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -101.43 131.6 48.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 CA-C-N 113.89 -1.505 . . . . 10.0 111.894 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.74 126.68 65.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.524 1.765 . . . . 10.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.772 ' HG3' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -117.11 161.57 19.21 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.814 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -148.46 107.63 3.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 110.562 -3.017 . . . . 10.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.83 87.04 2.44 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 123.618 1.675 . . . . 10.0 111.568 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -37.2 9.34 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 111.881 -2.418 . . . . 10.0 113.42 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 92.94 -7.93 0.16 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 127.678 3.111 . . . . 10.0 111.29 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 t80 -78.77 -20.12 50.62 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 112.634 -2.075 . . . . 10.0 112.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.89 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.355 0.819 0 O-C-N 127.619 3.074 . . . . 10.0 114.196 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 77.56 153.48 0.14 Allowed 'General case' 0 CA--C 1.494 -1.207 1 O-C-N 130.185 4.678 . . . . 10.0 113.519 177.148 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -170.16 101.19 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 125.472 2.558 . . . . 10.0 114.208 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.772 HD12 ' HG3' ' A' ' 52' ' ' ARG . 4.3 mm -96.28 161.67 2.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-N 111.831 -2.44 . . . . 10.0 108.388 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 -69.17 0.25 Allowed 'General case' 0 C--O 1.211 -0.951 0 O-C-N 126.068 2.105 . . . . 10.0 111.369 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 76.71 104.31 0.07 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.505 -2.589 . . . . 10.0 109.737 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CD2' HG21 ' A' ' 86' ' ' VAL . 1.6 m-85 -84.98 153.12 22.97 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 113.743 -1.572 . . . . 10.0 114.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -132.87 111.96 11.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 113.545 -1.661 . . . . 10.0 109.134 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.07 148.93 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 126.265 2.228 . . . . 10.0 110.743 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.68 21.99 7.76 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-N 113.677 -1.601 . . . . 10.0 114.562 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -132.63 154.16 50.36 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 124.26 1.981 . . . . 10.0 111.615 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 84' ' ' THR . 22.4 tp10 -96.36 151.77 19.22 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.005 -2.362 . . . . 10.0 109.924 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.489 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 9.9 p90 -167.9 160.83 12.59 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.204 -1.816 . . . . 10.0 110.113 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -74.09 155.77 38.13 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.875 -2.875 . . . . 10.0 109.965 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.556 ' OE2' HD11 ' A' ' 74' ' ' LEU . 7.2 tt0 -118.6 51.81 1.08 Allowed 'General case' 0 C--O 1.208 -1.091 0 O-C-N 127.786 3.179 . . . . 10.0 114.233 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.7 116.41 2.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 110.745 -2.934 . . . . 10.0 107.742 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.556 HD11 ' OE2' ' A' ' 72' ' ' GLU . 1.7 mt -111.71 9.81 20.95 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 126.849 2.593 . . . . 10.0 113.443 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.53 HG23 ' OD1' ' A' ' 79' ' ' ASP . 7.3 m -57.36 127.25 31.02 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 126.027 2.079 . . . . 10.0 107.558 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.03 14.95 Favored Glycine 0 C--O 1.222 -0.651 0 O-C-N 125.777 1.923 . . . . 10.0 109.174 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.84 -70.16 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 127.751 2.677 . . . . 10.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -137.96 20.87 2.84 Favored 'General case' 0 C--O 1.207 -1.144 0 O-C-N 125.193 1.558 . . . . 10.0 113.698 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 75' ' ' THR . 3.5 m-20 41.2 85.49 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 125.273 1.608 . . . . 10.0 114.679 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.417 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.9 mmp_? -148.06 156.06 42.2 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 111.673 -2.512 . . . . 10.0 111.204 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -140.56 100.86 3.97 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 109.936 -3.302 . . . . 10.0 111.594 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.25 167.97 20.89 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 114.402 -1.272 . . . . 10.0 112.766 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 140.61 29.85 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 126.089 2.118 . . . . 10.0 111.577 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.489 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 95.2 m -131.57 129.18 40.63 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 112.253 -2.249 . . . . 10.0 113.951 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 151.85 38.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 111.563 -2.562 . . . . 10.0 108.681 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 64' ' ' PHE . 67.1 t -133.14 127.66 54.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.03 0 CA-C-N 113.569 -1.65 . . . . 10.0 108.452 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -133.23 141.79 48.22 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 110.082 -3.236 . . . . 10.0 112.281 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -79.75 113.29 17.79 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.755 2.534 . . . . 10.0 113.34 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -40.97 18.95 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-O 124.565 2.126 . . . . 10.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.88 107.22 1.16 Allowed Glycine 0 C--O 1.208 -1.497 0 CA-C-N 110.92 -2.855 . . . . 10.0 110.705 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.9 m-20 61.4 21.43 12.0 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 126.006 1.651 . . . . 10.0 112.449 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 92.79 0.81 Allowed 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.305 2.253 . . . . 10.0 111.312 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.563 HD22 ' HZ ' ' A' ' 4' ' ' PHE . 4.7 tp -55.42 110.43 0.69 Allowed 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 127.906 3.254 . . . . 10.0 112.479 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -111.03 125.17 53.46 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 114.495 1.294 . . . . 10.0 114.495 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.413 ' SG ' HG22 ' A' ' 86' ' ' VAL . 5.0 m -121.83 137.06 54.92 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 126.8 2.563 . . . . 10.0 109.492 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.5 145.77 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 O-C-N 128.195 3.435 . . . . 10.0 109.705 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -111.57 102.34 10.68 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 128.095 3.372 . . . . 10.0 108.848 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -36.8 -38.28 0.17 Allowed 'General case' 0 C--O 1.21 -1.02 0 O-C-N 129.063 3.977 . . . . 10.0 112.446 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -9.28 -101.41 0.0 OUTLIER Glycine 0 CA--C 1.5 -0.894 1 O-C-N 130.744 5.028 . . . . 10.0 115.395 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -174.97 -46.39 0.01 OUTLIER 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.187 0.517 . . . . 10.0 111.855 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' CA ' ' HE3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -40.05 130.13 2.13 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 125.99 2.056 . . . . 10.0 112.735 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.83 109.53 18.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.37 -1.286 . . . . 10.0 110.331 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.39 -16.01 7.15 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.363 -1.744 . . . . 10.0 109.214 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.85 128.17 34.61 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 113.556 -1.322 . . . . 10.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.15 110.97 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 113.336 -1.756 . . . . 10.0 112.566 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.405 ' NE1' ' HG2' ' A' ' 119' ' ' MET . 2.4 m0 -66.13 160.14 24.68 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 124.454 2.074 . . . . 10.0 114.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.28 142.8 22.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.397 -3.092 . . . . 10.0 108.536 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -128.24 -170.22 2.21 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 110.433 -3.076 . . . . 10.0 111.924 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -163.81 -63.85 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 123.635 1.683 . . . . 10.0 113.431 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.491 HG23 HD21 ' A' ' 115' ' ' LEU . 42.1 mt 70.81 106.93 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-N 113.622 -1.626 . . . . 10.0 110.997 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.08 -32.15 8.84 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 111.311 -2.677 . . . . 10.0 114.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.66 110.95 3.47 Favored Glycine 0 C--O 1.22 -0.746 0 O-C-N 128.05 3.344 . . . . 10.0 109.999 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 75.61 35.16 0.55 Allowed 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.291 2.995 . . . . 10.0 110.047 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 154.94 126.52 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.749 1 O-C-N 129.736 4.398 . . . . 10.0 111.912 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.491 HD21 HG23 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -111.23 166.91 10.69 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 126.242 2.214 . . . . 10.0 107.173 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -151.8 103.41 2.93 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 127.87 3.231 . . . . 10.0 111.325 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.696 HD23 ' HZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -104.44 136.09 44.65 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 126.702 2.501 . . . . 10.0 108.866 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -109.53 85.51 2.12 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 125.515 1.76 . . . . 10.0 111.337 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.484 ' CG ' HD11 ' A' ' 117' ' ' LEU . 4.9 mtm -74.15 127.21 32.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 O-C-N 125.711 1.882 . . . . 10.0 109.074 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 7.2 mtm180 -138.55 150.21 46.11 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.59 -3.005 . . . . 10.0 111.75 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.633 ' O ' HG22 ' A' ' 124' ' ' VAL . . . 173.85 122.22 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.158 2.787 . . . . 10.0 110.297 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 79.9 0.37 2.11 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 124.911 1.382 . . . . 10.0 113.579 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 114.61 -1.98 23.34 Favored Glycine 0 C--O 1.218 -0.888 0 O-C-N 126.342 2.276 . . . . 10.0 114.849 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 121' ' ' ALA . 33.9 m -88.0 172.8 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-O 124.068 1.889 . . . . 10.0 110.013 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -143.99 87.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 111.017 -2.811 . . . . 10.0 114.071 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.2 129.26 40.87 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 126.678 2.486 . . . . 10.0 109.745 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.21 126.56 39.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 112.07 -2.332 . . . . 10.0 112.862 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.544 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 67.9 mt-30 -116.51 91.96 3.74 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-N 111.463 -2.608 . . . . 10.0 107.919 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 129' ' ' VAL . 0.3 OUTLIER -79.27 90.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 127.103 2.752 . . . . 10.0 108.919 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.696 ' HZ ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -84.81 -175.69 5.89 Favored 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 127.192 2.808 . . . . 10.0 109.576 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -145.63 132.21 19.84 Favored 'General case' 0 CA--C 1.5 -0.97 0 O-C-N 125.723 1.89 . . . . 10.0 111.372 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -83.22 132.91 35.03 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 127.403 2.94 . . . . 10.0 108.991 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.4 t -90.48 -15.79 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 114.703 -1.135 . . . . 10.0 112.102 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.1 t60 . . . . . 0 C--O 1.259 1.571 0 CA-C-O 117.339 -1.315 . . . . 10.0 110.341 -179.856 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--O 1.213 -0.831 0 CA-C-O 121.797 0.808 . . . . 10.0 112.239 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 42' ' ' ILE . 6.3 m-85 -78.54 -46.14 20.19 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 111.267 -2.697 . . . . 10.0 109.048 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -40.24 146.17 0.14 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 128.219 3.449 . . . . 10.0 113.104 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.513 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 134.5 -110.57 0.86 Allowed Glycine 0 C--N 1.342 0.894 0 CA-C-N 109.896 -3.32 . . . . 10.0 114.93 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.455 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -153.8 125.44 7.64 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 116.178 -2.209 . . . . 10.0 112.834 -179.689 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.648 ' CE3' ' HA ' ' A' ' 41' ' ' GLU 0.277 0.9 OUTLIER -117.87 127.33 53.76 Favored 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 130.505 4.878 . . . . 10.0 113.999 -178.312 . . . . . . . . 5 4 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -133.4 147.95 51.78 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 125.133 1.521 . . . . 10.0 107.543 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttt -76.16 146.48 39.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 123.507 1.623 . . . . 10.0 114.695 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.422 HD13 ' HD2' ' A' ' 131' ' ' LYS . 5.3 tp -120.86 -42.14 2.52 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 111.742 -2.481 . . . . 10.0 114.049 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -173.93 171.61 3.63 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 125.687 1.867 . . . . 10.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 137.67 50.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.541 -1.663 . . . . 10.0 108.333 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.69 -54.23 3.86 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 126.029 2.081 . . . . 10.0 113.646 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -152.19 41.19 0.64 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.091 -1.413 . . . . 10.0 110.407 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.861 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -76.09 -23.64 55.0 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-O 122.557 1.17 . . . . 10.0 112.452 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -71.63 -43.26 66.45 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 112.506 -2.134 . . . . 10.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -75.23 -27.18 59.4 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.087 1.422 . . . . 10.0 111.059 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.74 -44.51 96.02 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 113.241 -1.799 . . . . 10.0 113.988 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.861 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 19.6 mt -60.32 -22.01 62.7 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.546 1.641 . . . . 10.0 113.612 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -33.01 74.93 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 125.874 2.75 . . . . 10.0 114.147 -179.702 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.94 85.46 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.452 -2.158 . . . . 10.0 115.557 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.636 ' HB2' HG23 ' A' ' 25' ' ' VAL . 1.7 mt -91.77 14.53 15.12 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.611 1.196 . . . . 10.0 112.662 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 55.43 35.56 25.3 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 124.23 1.967 . . . . 10.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 23' ' ' LEU . 69.4 t -66.51 134.49 29.9 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.07 0 CA-C-N 111.655 -2.52 . . . . 10.0 108.044 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -46.58 161.18 0.06 Allowed 'General case' 0 C--O 1.214 -0.795 0 O-C-N 125.918 2.011 . . . . 10.0 114.545 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.16 -32.58 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 0 O-C-N 125.307 1.629 . . . . 10.0 110.215 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.4 73.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 126.232 2.207 . . . . 10.0 114.73 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -31.6 61.07 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-N 113.708 -1.587 . . . . 10.0 112.32 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -75.05 -31.5 61.31 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.489 -1.232 . . . . 10.0 109.461 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -68.19 -39.15 82.57 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.975 -2.375 . . . . 10.0 112.073 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 mt -71.72 -29.28 33.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 CA-C-N 111.316 -2.674 . . . . 10.0 112.524 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.99 63.55 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 111.946 -2.388 . . . . 10.0 114.746 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -66.36 -20.97 66.22 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.881 -1.509 . . . . 10.0 114.154 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.69 -1.19 12.17 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 126.031 2.082 . . . . 10.0 114.182 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 32' ' ' ILE . 1.8 mm? -99.82 143.67 29.77 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 126.886 2.616 . . . . 10.0 114.069 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.77 86.06 3.92 Favored Pre-proline 0 C--O 1.209 -1.068 0 O-C-N 126.834 2.584 . . . . 10.0 108.77 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -78.22 173.05 14.44 Favored 'Trans proline' 0 CA--C 1.506 -0.921 0 O-C-N 128.074 3.671 . . . . 10.0 110.544 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 54' ' ' LEU . 5.5 m-20 -122.53 138.61 54.51 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 111.655 -2.521 . . . . 10.0 108.964 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -94.48 168.69 10.71 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 114.464 -1.244 . . . . 10.0 110.688 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.648 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 24.8 tt0 -151.64 89.5 1.49 Allowed 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 128.674 3.734 . . . . 10.0 111.662 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 4' ' ' PHE . 23.3 mm -76.81 159.2 5.19 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-O 123.203 1.478 . . . . 10.0 109.934 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 43' ' ' VAL . 54.2 t -151.43 90.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-O 123.998 1.856 . . . . 10.0 113.352 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -76.33 126.96 31.93 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 110.774 -2.921 . . . . 10.0 109.723 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -110.48 -71.91 0.74 Allowed 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 124.186 1.946 . . . . 10.0 110.849 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.0 102.71 0.19 Allowed Glycine 0 C--O 1.221 -0.704 0 N-CA-C 108.589 -1.805 . . . . 10.0 108.589 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 82.21 17.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 129.045 3.438 . . . . 10.0 108.751 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -151.71 176.52 11.31 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 125.43 1.706 . . . . 10.0 108.561 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.4 ttm -168.91 122.98 0.84 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-N 110.985 -2.825 . . . . 10.0 114.379 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.82 129.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 O-C-N 126.495 2.372 . . . . 10.0 108.553 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -112.5 112.33 40.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 110.357 -3.11 . . . . 10.0 112.38 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' HG3' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -112.76 143.19 44.41 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 125.473 2.558 . . . . 10.0 111.574 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -126.41 117.33 22.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 110.995 -2.82 . . . . 10.0 108.086 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -114.73 105.51 13.12 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.967 -1.924 . . . . 10.0 113.672 -179.504 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -123.96 179.64 4.76 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 112.852 -1.976 . . . . 10.0 109.531 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -93.4 -10.89 33.65 Favored 'General case' 0 CA--C 1.507 -0.7 0 O-C-N 127.238 2.836 . . . . 10.0 108.78 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -94.17 -28.14 15.82 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.304 -1.358 . . . . 10.0 113.276 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 175.7 156.07 0.2 Allowed 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 124.235 1.969 . . . . 10.0 111.917 179.617 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -108.5 104.89 14.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.694 -2.957 . . . . 10.0 111.396 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.24 128.98 39.44 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.168 -0.924 . . . . 10.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 62' ' ' MET . 3.0 mm -121.24 162.41 20.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 O-C-N 124.604 1.19 . . . . 10.0 112.509 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.533 ' N ' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER 177.46 129.3 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 114.737 -1.12 . . . . 10.0 109.796 -179.541 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.85 113.95 27.86 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.19 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -97.91 112.0 24.09 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 124.574 2.131 . . . . 10.0 115.278 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -103.96 119.19 38.4 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 112.96 -1.927 . . . . 10.0 108.693 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.83 125.21 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 CA-C-N 111.583 -2.553 . . . . 10.0 114.221 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.56 90.13 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.801 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -106.73 136.88 45.79 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 113.551 -1.324 . . . . 10.0 107.911 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.14 120.61 41.02 Favored 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 127.595 3.059 . . . . 10.0 109.138 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -136.8 161.85 34.85 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 125.935 2.022 . . . . 10.0 112.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.67 149.43 41.94 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 110.883 -2.871 . . . . 10.0 109.086 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -118.31 144.11 46.09 Favored 'General case' 0 C--O 1.209 -1.035 1 O-C-N 129.268 4.105 . . . . 10.0 110.248 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -121.23 95.36 4.66 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 111.332 -2.667 . . . . 10.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD13 HH22 ' A' ' 104' ' ' ARG . 7.6 mt -94.05 56.23 2.21 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 125.856 1.973 . . . . 10.0 111.204 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.1 p -95.23 119.89 34.52 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 109.419 -3.537 . . . . 10.0 109.096 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.77 -10.7 12.26 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 108.428 -1.869 . . . . 10.0 108.428 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.1 -67.9 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 113.519 -1.34 . . . . 10.0 111.647 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -114.21 -32.65 5.92 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 127.385 2.928 . . . . 10.0 113.127 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 80.25 79.21 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 124.546 2.117 . . . . 10.0 109.369 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -177.63 176.54 1.24 Allowed 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 112.466 -2.152 . . . . 10.0 109.98 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 5.0 mtpp -138.29 153.81 49.04 Favored 'General case' 0 CA--C 1.497 -1.08 0 C-N-CA 118.16 -1.416 . . . . 10.0 112.25 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 p -144.28 165.89 26.6 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 124.68 2.181 . . . . 10.0 113.08 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.2 mtt -105.7 119.88 40.27 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 111.554 -2.566 . . . . 10.0 109.83 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -108.01 144.45 35.31 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.417 -1.265 . . . . 10.0 113.568 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.76 123.11 11.62 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.871 3.232 . . . . 10.0 109.622 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 50.0 t -98.85 117.59 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 123.931 1.824 . . . . 10.0 112.776 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 t -130.78 78.0 1.82 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.22 -2.718 . . . . 10.0 111.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 0.1 OUTLIER -48.07 146.38 2.62 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 110.488 -3.051 . . . . 10.0 110.498 179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.58 96.17 3.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 124.829 2.252 . . . . 10.0 111.866 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.57 -122.17 9.24 Favored Glycine 0 N--CA 1.471 1.016 0 CA-C-N 110.872 -2.876 . . . . 10.0 110.988 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.35 2.94 48.81 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 124.428 1.091 . . . . 10.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -116.29 150.31 37.83 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 124.716 2.198 . . . . 10.0 111.869 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 105.07 11.63 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 112.224 -2.262 . . . . 10.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -97.12 150.32 20.98 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 127.958 3.286 . . . . 10.0 112.891 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.0 m -144.48 121.3 11.25 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 112.982 -1.917 . . . . 10.0 113.438 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.73 136.43 56.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 112.449 -2.16 . . . . 10.0 110.43 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.473 ' HG3' ' HA2' ' A' ' 105' ' ' GLY . 2.9 mt-30 -121.43 137.7 54.6 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 114.777 -1.101 . . . . 10.0 108.968 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -111.46 83.14 1.72 Allowed 'General case' 0 C--O 1.21 -0.997 0 O-C-N 128.233 3.458 . . . . 10.0 112.858 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.61 -68.51 1.31 Allowed Glycine 0 C--O 1.211 -1.329 0 CA-C-N 110.625 -2.989 . . . . 10.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 175.02 -41.85 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 124.71 2.195 . . . . 10.0 110.275 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -75.69 152.47 37.51 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 111.916 -2.402 . . . . 10.0 108.864 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -93.69 146.25 23.98 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 127.138 2.774 . . . . 10.0 112.415 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.66 46.25 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 110.096 -3.229 . . . . 10.0 112.52 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.401 HH22 HD13 ' A' ' 74' ' ' LEU . 35.8 mtp85 -55.6 114.23 1.77 Allowed 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.123 2.308 . . . . 10.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.473 ' HA2' ' HG3' ' A' ' 97' ' ' GLN . . . 140.11 146.51 4.85 Favored Glycine 0 C--O 1.219 -0.809 0 N-CA-C 108.346 -1.901 . . . . 10.0 108.346 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.54 168.45 16.37 Favored 'General case' 0 C--O 1.208 -1.129 0 CA-C-O 122.574 1.178 . . . . 10.0 113.703 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.4 m -128.48 146.43 50.82 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 110.389 -3.096 . . . . 10.0 108.993 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.34 134.93 53.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 129.006 3.941 . . . . 10.0 110.344 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -157.88 106.09 2.02 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.574 -2.103 . . . . 10.0 113.462 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.94 142.41 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-N 111.157 -2.747 . . . . 10.0 109.923 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -124.08 70.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.084 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.15 -90.64 1.11 Allowed Glycine 0 N--CA 1.471 0.994 0 CA-C-O 123.247 1.471 . . . . 10.0 113.722 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.37 26.14 10.69 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.386 -0.907 . . . . 10.0 109.564 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -138.04 124.54 20.77 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 123.171 1.462 . . . . 10.0 112.436 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.6 tp -96.88 80.38 3.01 Favored 'General case' 0 CA--C 1.493 -1.228 0 CA-C-N 114.546 -1.206 . . . . 10.0 110.802 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -90.3 150.64 21.83 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 125.634 2.635 . . . . 10.0 114.523 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -153.01 151.82 30.7 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 111.988 -2.369 . . . . 10.0 110.192 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -112.56 116.52 30.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.531 -1.668 . . . . 10.0 110.126 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 mtt -102.25 159.43 15.41 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 113.995 -1.457 . . . . 10.0 108.589 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -155.18 139.33 16.52 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 113.819 -1.537 . . . . 10.0 111.705 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -158.55 115.57 2.82 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.066 2.104 . . . . 10.0 113.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 63.45 25.84 14.65 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.402 -3.09 . . . . 10.0 114.032 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.35 59.74 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 118.711 -1.709 . . . . 10.0 112.928 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.4 t -104.23 138.34 29.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -105.98 131.57 53.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 124.528 1.143 . . . . 10.0 113.145 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.96 127.05 9.06 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 125.591 1.807 . . . . 10.0 109.314 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 111.52 11.99 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 125.896 1.998 . . . . 10.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -76.2 145.84 39.54 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 112.429 -2.169 . . . . 10.0 107.701 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.79 84.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 O-C-N 126.744 2.527 . . . . 10.0 113.413 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -81.48 149.75 28.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 110.757 -2.929 . . . . 10.0 108.529 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.422 ' HD2' HD13 ' A' ' 11' ' ' LEU . 8.1 mttt -113.33 139.59 48.73 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 127.518 3.011 . . . . 10.0 112.577 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -80.85 122.91 27.8 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 112.432 -2.167 . . . . 10.0 111.218 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -95.64 -7.89 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 113.142 -1.845 . . . . 10.0 109.329 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.235 -1.348 . . . . 10.0 111.947 -179.783 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 CA--C 1.51 -0.579 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -112.89 2.54 15.91 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.658 1.355 . . . . 10.0 114.658 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -69.61 131.94 45.42 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 117.927 -1.509 . . . . 10.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.36 -170.69 39.64 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 117.774 -2.155 . . . . 10.0 111.693 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -115.63 91.02 3.47 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 128.024 2.838 . . . . 10.0 108.415 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 130' ' ' PHE . 5.3 m0 -86.65 151.93 23.01 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.314 -1.766 . . . . 10.0 109.004 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 4.1 ptmt 173.93 157.53 0.14 Allowed 'General case' 0 C--O 1.213 -0.851 0 O-C-N 127.452 2.97 . . . . 10.0 113.76 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.9 ttm 65.98 86.67 0.13 Allowed 'General case' 0 CA--C 1.497 -1.076 0 CA-C-O 124.563 2.125 . . . . 10.0 115.362 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -112.39 101.68 9.86 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.355 -2.202 . . . . 10.0 109.836 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t -48.74 94.93 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 111.514 -2.585 . . . . 10.0 109.632 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LEU . 32.4 m120 -44.71 131.68 6.76 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.415 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -148.96 111.67 4.8 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 127.159 2.787 . . . . 10.0 111.214 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 61.53 23.42 13.7 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-O 125.112 2.387 . . . . 10.0 110.328 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.53 -39.33 62.42 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 109.295 -3.593 . . . . 10.0 113.565 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.9 -29.98 39.99 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 113.346 -1.752 . . . . 10.0 109.409 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -74.49 -20.27 60.06 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 124.461 2.077 . . . . 10.0 110.523 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -78.06 -24.43 47.71 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 111.618 -2.537 . . . . 10.0 112.79 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.45 ' HB3' HG12 ' A' ' 25' ' ' VAL . 89.9 mt -73.43 -26.62 61.03 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.872 -1.058 . . . . 10.0 112.931 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.58 -23.0 58.68 Favored 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.377 2.923 . . . . 10.0 112.622 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -27.08 64.73 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.634 1.683 . . . . 10.0 111.296 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.62 8.97 33.39 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 113.843 -1.526 . . . . 10.0 113.664 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 51.92 64.82 1.7 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 114.05 -1.432 . . . . 10.0 114.386 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -112.7 152.43 14.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 114.788 -1.096 . . . . 10.0 109.237 179.812 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -34.45 134.67 0.2 Allowed 'General case' 0 N--CA 1.474 0.748 1 O-C-N 130.027 4.579 . . . . 10.0 111.532 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -22.29 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 O-C-N 126.856 2.597 . . . . 10.0 113.801 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.26 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 110.549 -3.023 . . . . 10.0 113.231 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -23.88 63.49 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 125.048 2.356 . . . . 10.0 113.032 179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -79.8 -28.09 40.27 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 111.548 -2.569 . . . . 10.0 110.497 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.24 67.02 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 125.181 2.42 . . . . 10.0 114.239 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.497 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -74.69 -35.23 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-N 111.362 -2.654 . . . . 10.0 114.172 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -27.1 66.22 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.151 -2.295 . . . . 10.0 114.986 -179.661 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.57 -24.25 63.67 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 123.475 1.607 . . . . 10.0 112.169 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.05 17.64 17.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 123.172 1.463 . . . . 10.0 113.285 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 36' ' ' LEU . 11.2 tp -101.03 92.06 4.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.983 -1.917 . . . . 10.0 114.028 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -103.22 109.27 61.33 Favored Pre-proline 0 N--CA 1.476 0.858 0 CA-C-N 110.723 -2.944 . . . . 10.0 106.632 179.449 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.283 0.0 OUTLIER -112.25 -168.13 0.02 OUTLIER 'Trans proline' 0 CA--C 1.492 -1.579 0 C-N-CA 121.698 1.599 . . . . 10.0 114.732 -178.59 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 9' ' ' LYS . 11.1 p-10 -133.55 170.63 15.23 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 112.461 -2.154 . . . . 10.0 108.015 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -146.53 142.02 27.6 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 112.183 -2.28 . . . . 10.0 111.498 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.93 92.5 3.55 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.401 -2.181 . . . . 10.0 111.728 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.51 135.05 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-N 111.534 -2.575 . . . . 10.0 109.744 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.8 101.08 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 O-C-N 128.168 3.418 . . . . 10.0 113.147 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -96.97 116.85 29.93 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 122.033 0.92 . . . . 10.0 112.549 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.14 -10.16 16.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 113.212 -1.813 . . . . 10.0 111.55 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.05 118.54 3.83 Favored Glycine 0 N--CA 1.446 -0.672 0 O-C-N 126.329 2.268 . . . . 10.0 109.08 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 60.22 27.83 17.37 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 127.5 2.53 . . . . 10.0 108.046 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -170.59 129.11 0.82 Allowed 'General case' 0 C--O 1.209 -1.04 0 O-C-N 127.392 2.932 . . . . 10.0 111.236 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -143.93 106.97 4.5 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 113.649 -1.614 . . . . 10.0 112.954 179.646 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.36 110.72 20.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 123.617 1.675 . . . . 10.0 109.746 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.419 HD12 ' HB2' ' A' ' 64' ' ' PHE . 2.4 mt -101.78 111.04 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 CA-C-O 124.527 2.108 . . . . 10.0 108.603 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -110.39 119.4 39.07 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-N 112.961 -1.927 . . . . 10.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -107.2 121.48 44.62 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 111.573 -2.558 . . . . 10.0 108.67 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.8 mt -112.23 64.38 0.63 Allowed 'General case' 0 C--O 1.211 -0.957 0 CA-C-O 123.484 1.612 . . . . 10.0 114.458 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.3 p -68.16 -18.11 64.52 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 113.347 -1.751 . . . . 10.0 110.401 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m 63.62 19.42 11.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.699 -1.137 . . . . 10.0 109.525 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 3.0 t80 -120.23 1.81 10.82 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 126.902 2.626 . . . . 10.0 113.328 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 170.67 -32.27 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.167 0 O-C-N 126.974 2.672 . . . . 10.0 113.026 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m120 71.63 99.88 0.07 Allowed 'General case' 0 CA--C 1.495 -1.154 2 O-C-N 131.208 5.317 . . . . 10.0 114.464 176.878 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' C ' HD12 ' A' ' 61' ' ' ILE . 13.8 t80 -115.39 141.29 48.24 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 118.795 -1.162 . . . . 10.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.583 HD12 ' C ' ' A' ' 60' ' ' TYR . 4.9 mp -144.19 152.62 15.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 114.389 -1.278 . . . . 10.0 112.494 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.495 ' N ' HG22 ' A' ' 61' ' ' ILE . 2.1 mtm -153.57 158.4 41.15 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.456 2.973 . . . . 10.0 110.213 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.87 39.1 2.09 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 111.707 -2.497 . . . . 10.0 113.456 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.419 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -27.34 110.33 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 128.702 3.751 . . . . 10.0 114.245 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.64 136.05 54.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.98 1.847 . . . . 10.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.78 131.51 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.136 0 CA-C-N 110.231 -3.168 . . . . 10.0 113.424 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.45 29.36 60.53 Favored Glycine 0 C--O 1.209 -1.447 0 CA-C-N 114.857 -1.065 . . . . 10.0 113.933 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -93.69 -45.68 7.59 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.754 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 78.52 106.17 0.07 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 127.424 2.953 . . . . 10.0 109.5 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 18.6 p90 -141.82 172.56 12.52 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 112.031 -2.349 . . . . 10.0 113.608 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -91.78 132.05 36.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 124.217 1.961 . . . . 10.0 110.506 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -106.3 80.06 1.45 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 112.051 -2.34 . . . . 10.0 111.068 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.89 113.52 2.83 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 123.234 1.492 . . . . 10.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 tp -102.31 61.47 0.85 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 124.67 2.176 . . . . 10.0 111.775 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 143.35 30.09 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 110.513 -3.04 . . . . 10.0 109.001 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.11 -3.47 64.41 Favored Glycine 0 C--O 1.209 -1.439 0 O-C-N 126.836 2.585 . . . . 10.0 108.741 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.25 -67.29 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 112.059 -2.071 . . . . 10.0 108.786 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -140.55 9.42 2.23 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 113.577 -1.647 . . . . 10.0 114.735 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 45.08 75.75 0.1 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 124.455 2.074 . . . . 10.0 111.345 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -152.43 128.71 10.54 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 112.658 -2.065 . . . . 10.0 108.729 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -102.51 131.9 48.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 126.218 2.199 . . . . 10.0 108.721 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.6 m -143.01 134.16 25.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 127.415 2.947 . . . . 10.0 114.938 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.436 ' HB2' ' CB ' ' A' ' 98' ' ' LYS . 19.9 mtt -69.09 159.33 33.09 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 112.677 -2.056 . . . . 10.0 108.769 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 159.57 42.57 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 127.442 2.964 . . . . 10.0 114.076 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.05 158.4 36.4 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.31 -1.768 . . . . 10.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -140.24 116.36 8.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.087 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.2 m -126.96 101.85 6.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 112.216 -2.266 . . . . 10.0 111.896 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 165.58 22.02 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 126.197 2.186 . . . . 10.0 112.233 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.86 -51.48 2.36 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 108.896 -3.774 . . . . 10.0 109.727 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.76 -92.51 0.08 OUTLIER Glycine 0 C--O 1.209 -1.432 0 CA-C-N 111.859 -2.428 . . . . 10.0 113.702 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -44.29 96.9 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 123.65 1.691 . . . . 10.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 176.32 5.86 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 112.821 -1.991 . . . . 10.0 111.245 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.2 122.18 7.07 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 110.778 -2.919 . . . . 10.0 108.461 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.819 ' HB3' HG23 ' A' ' 107' ' ' THR . 0.3 OUTLIER -127.41 167.97 15.49 Favored 'General case' 0 CA--C 1.495 -1.157 0 O-C-N 128.849 3.843 . . . . 10.0 110.658 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.53 176.65 8.43 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.542 -2.572 . . . . 10.0 111.436 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.3 t -151.98 139.59 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 O-C-N 127.744 3.153 . . . . 10.0 109.002 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 104' ' ' ARG . 71.3 mt-30 -107.2 126.52 52.51 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 111.873 -2.421 . . . . 10.0 108.705 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.436 ' CB ' ' HB2' ' A' ' 83' ' ' MET . 46.7 mttt -104.97 81.55 1.75 Allowed 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 111.387 -2.642 . . . . 10.0 112.139 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.24 -103.87 1.94 Allowed Glycine 0 C--N 1.348 1.202 0 CA-C-N 110.26 -3.155 . . . . 10.0 113.874 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -161.03 -45.11 0.04 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 111.514 -2.343 . . . . 10.0 114.979 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -98.68 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 124.226 0.954 . . . . 10.0 111.474 179.778 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -178.18 166.85 1.96 Allowed 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 122.979 1.371 . . . . 10.0 112.593 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.13 38.51 67.0 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 109.563 -3.472 . . . . 10.0 114.567 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.439 ' CB ' ' HB2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -95.98 153.89 17.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.26 165.49 20.31 Favored Glycine 0 CA--C 1.493 -1.291 0 O-C-N 127.372 2.92 . . . . 10.0 109.536 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.62 2.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 123.593 1.663 . . . . 10.0 111.722 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.819 HG23 ' HB3' ' A' ' 94' ' ' GLN . 38.1 m -158.37 135.1 9.64 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.244 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.447 ' CG ' HD11 ' A' ' 115' ' ' LEU . 2.5 tt0 -110.82 144.76 39.32 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 113.811 -1.54 . . . . 10.0 108.213 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -158.74 95.8 1.33 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.022 -2.353 . . . . 10.0 112.983 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.556 ' HA ' HD22 ' A' ' 115' ' ' LEU . 6.4 mt -62.69 132.76 28.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 128.42 3.575 . . . . 10.0 113.197 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -141.12 81.56 1.79 Allowed 'General case' 0 C--O 1.219 -0.538 0 O-C-N 126.516 2.385 . . . . 10.0 114.085 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.18 -122.59 9.87 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 113.626 -1.625 . . . . 10.0 110.208 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.88 21.43 10.59 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 123.084 1.421 . . . . 10.0 112.376 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.52 123.05 11.08 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 113.348 -1.751 . . . . 10.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 116' ' ' HIS . 2.3 tm? -92.67 133.76 35.69 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.748 ' N ' HD13 ' A' ' 115' ' ' LEU . 7.8 t60 -98.37 107.83 20.39 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 128.081 3.363 . . . . 10.0 111.947 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.7 tp -112.46 134.32 54.05 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 112.245 -2.252 . . . . 10.0 114.524 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.45 106.08 6.88 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 113.772 -1.558 . . . . 10.0 110.322 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 mtt -107.39 124.24 49.54 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 112.771 -2.013 . . . . 10.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 81.6 mtt180 -112.13 162.65 15.2 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 125.415 1.697 . . . . 10.0 108.834 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 179.82 116.49 0.05 Allowed 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 125.618 1.824 . . . . 10.0 114.373 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.29 23.38 5.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 127.645 3.091 . . . . 10.0 114.215 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.43 8.64 59.67 Favored Glycine 0 CA--C 1.501 -0.816 0 CA-C-O 123.092 1.384 . . . . 10.0 112.667 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.32 133.64 66.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-O 122.64 1.21 . . . . 10.0 108.442 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 95.4 m -99.56 124.56 44.87 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 113.752 -1.567 . . . . 10.0 113.55 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.65 136.3 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 128.182 3.426 . . . . 10.0 108.717 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.94 143.73 48.39 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-O 123.011 1.386 . . . . 10.0 112.806 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -127.8 145.25 50.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.408 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.02 62.71 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.096 0 O-C-N 127.234 2.834 . . . . 10.0 114.047 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.789 ' HB3' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.65 139.93 42.99 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.759 -2.473 . . . . 10.0 111.371 -179.482 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.27 1.6 mmpt? -104.06 122.35 45.1 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 109.466 -3.516 . . . . 10.0 112.841 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -81.49 113.64 19.68 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 128.14 3.4 . . . . 10.0 110.109 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.4 HG21 ' HE2' ' A' ' 9' ' ' LYS . 22.2 t -84.01 -51.13 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 111.632 -2.531 . . . . 10.0 112.351 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--O 1.259 1.572 0 O-C-N 124.765 1.291 . . . . 10.0 113.18 179.98 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 4.8 p-10 . . . . . 0 C--O 1.212 -0.876 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' A' ' 42' ' ' ILE . 8.5 m-85 -76.17 -55.1 5.89 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 126.844 2.59 . . . . 10.0 108.778 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 47.0 t-20 -45.62 144.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.807 0 O-C-N 127.703 3.127 . . . . 10.0 113.151 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.514 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 138.0 -108.71 0.64 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 111.75 -2.477 . . . . 10.0 115.08 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.514 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -157.62 128.51 6.56 Favored 'General case' 0 C--O 1.209 -1.063 0 C-N-CA 116.244 -2.183 . . . . 10.0 112.896 -179.285 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HD1' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -127.45 105.28 8.4 Favored 'General case' 0 CA--C 1.502 -0.879 1 O-C-N 130.69 4.994 . . . . 10.0 113.704 -177.667 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -114.53 139.75 49.32 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 118.383 -1.327 . . . . 10.0 107.745 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttm -73.0 139.98 47.02 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.302 2.251 . . . . 10.0 111.981 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -112.63 -43.51 3.46 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 113.372 -1.74 . . . . 10.0 114.558 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -147.58 164.62 32.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 125.889 1.993 . . . . 10.0 113.571 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -125.44 121.13 32.92 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 128.115 3.384 . . . . 10.0 110.334 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -121.86 126.7 49.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.213 -1.812 . . . . 10.0 109.497 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 58.63 30.25 19.63 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 111.429 -2.623 . . . . 10.0 112.997 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.459 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 32.0 t80 -76.9 -26.22 53.91 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 112.415 -2.175 . . . . 10.0 113.231 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.74 -35.75 38.33 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 112.305 -2.225 . . . . 10.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.16 -31.26 60.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.977 -1.465 . . . . 10.0 113.005 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -75.18 -29.44 60.38 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 110.923 -2.853 . . . . 10.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD22 HG11 ' A' ' 25' ' ' VAL . 11.8 mt -73.23 -27.23 61.48 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.308 -2.678 . . . . 10.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -22.26 57.65 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 110.524 -3.034 . . . . 10.0 109.832 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -65.68 -25.57 67.39 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.914 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.53 5.97 23.64 Favored 'General case' 0 CA--C 1.494 -1.199 0 O-C-N 126.927 2.642 . . . . 10.0 112.562 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.53 42.38 27.38 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 123.381 1.563 . . . . 10.0 114.783 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 20' ' ' LEU . 42.4 t -69.37 128.76 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 111.286 -2.688 . . . . 10.0 112.069 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -47.42 154.37 0.43 Allowed 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.785 3.178 . . . . 10.0 113.364 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 t -66.9 -28.98 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.016 0 O-C-N 126.814 2.571 . . . . 10.0 115.356 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -73.48 -34.92 65.58 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 124.334 2.016 . . . . 10.0 113.779 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.0 -33.74 44.68 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 112.139 -2.3 . . . . 10.0 114.769 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.83 -22.2 59.86 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.85 1.786 . . . . 10.0 111.988 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -75.67 -48.06 23.64 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 109.684 -3.416 . . . . 10.0 110.043 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 28' ' ' ALA . 9.6 mt -65.77 -37.81 80.79 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 125.481 1.738 . . . . 10.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -73.5 -20.14 60.75 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 125.924 2.015 . . . . 10.0 113.82 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -65.44 -29.65 70.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 111.179 -2.737 . . . . 10.0 113.8 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.74 8.4 22.49 Favored 'General case' 0 C--O 1.209 -1.075 0 O-C-N 126.261 2.225 . . . . 10.0 111.265 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.02 130.75 48.66 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-N 111.203 -2.726 . . . . 10.0 113.441 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.29 79.32 37.05 Favored Pre-proline 0 CA--C 1.501 -0.915 0 CA-C-O 124.167 1.937 . . . . 10.0 109.32 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 5.2 Cg_endo -66.05 134.4 36.79 Favored 'Trans proline' 0 C--O 1.211 -0.861 0 CA-C-N 110.932 -2.203 . . . . 10.0 113.362 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.14 135.13 33.99 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 109.298 -3.592 . . . . 10.0 107.279 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -89.98 175.12 7.31 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 125.894 1.996 . . . . 10.0 114.053 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.653 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mt-10 -151.29 95.03 2.1 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 128.667 3.729 . . . . 10.0 112.935 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 4' ' ' PHE . 3.5 mp -86.46 153.43 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.035 0 CA-C-O 124.189 1.947 . . . . 10.0 109.058 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 80.1 t -139.74 84.76 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 CA-C-O 125.322 2.487 . . . . 10.0 111.267 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -74.07 111.66 9.45 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 111.799 -2.455 . . . . 10.0 112.832 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -141.29 74.39 1.46 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 111.539 -2.573 . . . . 10.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.78 -145.45 21.74 Favored Glycine 0 C--O 1.209 -1.457 0 CA-C-N 110.89 -2.868 . . . . 10.0 114.36 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -42.31 -42.63 3.2 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 111.261 -2.47 . . . . 10.0 113.972 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -103.61 171.61 7.26 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 125.196 2.427 . . . . 10.0 114.4 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.8 ttp -143.55 141.92 30.89 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 110.437 -3.074 . . . . 10.0 108.49 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.7 mt -129.83 120.08 49.09 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.015 0 O-C-N 127.147 2.779 . . . . 10.0 111.922 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -100.19 120.29 49.43 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 1 O-C-N 129.837 4.461 . . . . 10.0 112.182 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.639 ' HG3' HD12 ' A' ' 61' ' ' ILE . 2.4 mtt180 -111.27 133.33 53.68 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 128.067 3.354 . . . . 10.0 109.466 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 m -112.86 109.03 18.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 111.866 -2.425 . . . . 10.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.77 93.69 5.69 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 126.522 2.389 . . . . 10.0 109.574 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -116.17 -8.28 11.77 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 113.912 -1.495 . . . . 10.0 113.827 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 79.07 -62.48 0.31 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 128.211 3.444 . . . . 10.0 108.465 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -45.54 -39.91 8.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 127.035 2.709 . . . . 10.0 107.894 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -165.69 150.22 8.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 110.154 -3.203 . . . . 10.0 113.2 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -106.22 124.05 48.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.284 -2.235 . . . . 10.0 111.92 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.699 ' C ' HD13 ' A' ' 61' ' ' ILE . 7.5 t80 -128.45 120.37 26.75 Favored 'General case' 0 C--O 1.209 -1.047 0 O-C-N 125.372 1.67 . . . . 10.0 113.613 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.699 HD13 ' C ' ' A' ' 60' ' ' TYR . 1.6 mm -113.49 151.38 15.35 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 O-C-N 126.281 2.238 . . . . 10.0 112.856 -179.888 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.1 mtp -148.53 116.76 6.47 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 126.407 2.317 . . . . 10.0 108.28 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.27 96.71 10.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 111.672 -2.513 . . . . 10.0 109.212 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 86' ' ' VAL . 2.7 m-85 -99.3 103.02 14.82 Favored 'General case' 0 CA--C 1.502 -0.873 0 O-C-N 126.674 2.484 . . . . 10.0 113.655 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -99.84 91.31 4.77 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 126.949 2.656 . . . . 10.0 107.937 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG22 HG11 ' A' ' 86' ' ' VAL . 47.7 t -40.42 107.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 CA-C-N 111.917 -2.402 . . . . 10.0 114.301 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 4.92 28.55 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 111.293 -2.685 . . . . 10.0 113.457 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.93 141.07 52.14 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.062 -2.069 . . . . 10.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -97.73 119.41 36.26 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 124.897 2.284 . . . . 10.0 110.579 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.448 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 0.9 OUTLIER -123.41 156.57 35.2 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 110.939 -2.846 . . . . 10.0 110.578 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.16 108.12 19.55 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 110.314 -3.13 . . . . 10.0 110.681 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.4 mt-10 -83.55 113.41 20.8 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 113.314 -1.767 . . . . 10.0 114.154 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.56 116.71 32.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.182 2.176 . . . . 10.0 109.597 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HD12 ' A' ' 77' ' ' ILE . 14.7 mt -102.28 54.55 0.79 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.365 -2.198 . . . . 10.0 114.328 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 3.2 m -76.57 -12.03 59.96 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 126.882 2.614 . . . . 10.0 112.305 -179.516 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.71 14.77 56.18 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 110.492 -3.049 . . . . 10.0 108.978 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.682 HD12 HD22 ' A' ' 74' ' ' LEU . 70.4 mt -133.93 -66.45 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.029 0 O-C-N 126.515 1.95 . . . . 10.0 109.655 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -165.16 53.69 0.11 Allowed 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.805 -1.089 . . . . 10.0 109.824 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 47.8 p30 11.91 75.08 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.928 1 O-C-N 130.01 4.569 . . . . 10.0 114.78 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.71 120.03 28.42 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 110.053 -3.249 . . . . 10.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.38 125.06 50.73 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.934 2.646 . . . . 10.0 113.581 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -144.77 171.36 14.53 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 110.685 -2.961 . . . . 10.0 108.75 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.8 mtt -102.36 126.74 49.47 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 123.981 0.8 . . . . 10.0 110.147 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.448 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 71.7 m -119.85 141.87 49.16 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 112.776 -2.011 . . . . 10.0 113.819 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 86' ' ' VAL . 1.6 m -125.74 163.23 23.3 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.374 -1.284 . . . . 10.0 110.525 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.463 HG11 HG22 ' A' ' 66' ' ' VAL . 90.8 t -138.84 135.49 42.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-O 125.145 2.403 . . . . 10.0 114.307 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -124.93 154.52 41.02 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 109.93 -3.304 . . . . 10.0 111.045 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -121.21 107.92 13.15 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 126.853 2.596 . . . . 10.0 107.993 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.93 -13.99 16.7 Favored 'General case' 0 C--O 1.212 -0.918 0 O-C-N 126.928 2.643 . . . . 10.0 113.253 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.68 -133.11 3.94 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 124.525 1.141 . . . . 10.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -56.65 -43.91 80.78 Favored 'General case' 0 CA--C 1.494 -1.173 0 CA-C-O 126.104 2.859 . . . . 10.0 110.406 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -90.95 128.01 36.62 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 110.908 -2.86 . . . . 10.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.1 127.97 55.73 Favored 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.956 3.285 . . . . 10.0 109.617 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -137.85 158.2 44.85 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.498 1.124 . . . . 10.0 108.545 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 171.77 9.89 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 112.476 -2.147 . . . . 10.0 112.676 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.99 123.26 10.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 127.517 3.011 . . . . 10.0 108.332 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.8 119.81 32.74 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 127.548 3.03 . . . . 10.0 113.488 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -67.77 -174.59 0.46 Allowed 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.06 -2.336 . . . . 10.0 111.495 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 156.44 -145.85 12.9 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 112.893 -1.958 . . . . 10.0 113.31 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.99 28.92 2.3 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 127.513 2.537 . . . . 10.0 114.747 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -131.47 -144.55 0.25 Allowed 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 111.542 -2.572 . . . . 10.0 108.84 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -133.63 142.65 48.18 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 124.615 2.15 . . . . 10.0 111.792 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.76 -85.11 0.69 Allowed Glycine 0 C--O 1.212 -1.251 0 CA-C-N 113.314 -1.767 . . . . 10.0 112.841 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 27.02 89.91 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 O-C-N 129.977 3.986 . . . . 10.0 113.619 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 149.45 8.01 Favored Glycine 0 N--CA 1.465 0.616 0 O-C-N 125.643 1.839 . . . . 10.0 109.033 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.8 149.33 50.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.064 1.345 . . . . 10.0 114.105 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -138.97 137.51 36.45 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 126.141 2.15 . . . . 10.0 109.252 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.494 ' HG3' HD12 ' A' ' 117' ' ' LEU . 28.0 mt-30 -120.93 148.17 44.43 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 126.445 3.022 . . . . 10.0 112.801 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -166.05 99.12 0.64 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 112.697 -2.047 . . . . 10.0 112.481 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 mt -63.81 135.67 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 127.043 2.715 . . . . 10.0 109.605 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.75 -59.12 1.8 Allowed 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.471 1.732 . . . . 10.0 113.411 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.45 -76.01 0.02 OUTLIER Glycine 0 N--CA 1.463 0.439 0 CA-C-N 111.895 -2.412 . . . . 10.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.44 19.74 14.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 124.86 2.267 . . . . 10.0 108.75 -179.781 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -133.62 144.98 49.59 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.623 -1.626 . . . . 10.0 109.784 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.824 HD13 ' HD1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -102.98 47.92 0.87 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 128.016 3.322 . . . . 10.0 112.189 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -23.55 124.41 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.885 3.866 . . . . 10.0 114.137 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' ' 108' ' ' GLN . 13.2 tp -141.67 143.35 33.55 Favored 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 125.699 1.875 . . . . 10.0 113.941 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -134.16 111.88 10.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 110.108 -3.224 . . . . 10.0 113.636 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.0 mtm -109.89 137.83 47.11 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 124.576 1.172 . . . . 10.0 109.69 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 128.44 32.14 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 112.638 -2.073 . . . . 10.0 112.239 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.36 136.7 8.72 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 125.236 1.585 . . . . 10.0 113.656 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.64 20.4 10.33 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.88 -1.963 . . . . 10.0 113.771 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.05 21.3 65.73 Favored Glycine 0 C--O 1.211 -1.314 0 CA-C-N 112.261 -2.245 . . . . 10.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 22' ' ' ALA . 5.2 t -113.34 111.66 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.849 -0.797 . . . . 10.0 108.849 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.1 m -87.33 118.59 26.87 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 128.062 3.351 . . . . 10.0 109.527 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.3 t -116.15 149.65 38.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 124.624 2.154 . . . . 10.0 110.034 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -143.39 139.74 30.13 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 111.426 -2.625 . . . . 10.0 112.777 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -133.54 128.02 34.39 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.821 -1.082 . . . . 10.0 111.656 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.71 100.25 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 O-C-N 127.334 2.896 . . . . 10.0 114.588 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -84.52 175.6 9.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 127.092 2.745 . . . . 10.0 108.657 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.561 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.1 tptm -146.38 113.02 5.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 125.864 1.977 . . . . 10.0 114.192 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 113.73 15.73 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 112.447 -2.16 . . . . 10.0 111.424 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.81 -11.72 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 O-C-N 126.141 2.15 . . . . 10.0 113.455 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--O 1.249 1.078 0 O-C-N 127.083 2.739 . . . . 10.0 110.535 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 113.888 1.07 . . . . 10.0 113.888 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 110' ' ' ILE . 16.9 m-30 -98.63 -9.34 24.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 126.621 2.45 . . . . 10.0 112.685 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -60.59 164.31 4.67 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 126.392 2.308 . . . . 10.0 112.711 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.95 -164.74 12.14 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 107.555 -2.218 . . . . 10.0 107.555 -179.278 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' HB3' ' CE ' ' A' ' 132' ' ' LYS . 2.4 m-85 -115.49 159.79 20.74 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 110.717 -2.741 . . . . 10.0 110.092 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.601 ' CD1' HD12 ' A' ' 42' ' ' ILE . 22.1 m95 -141.2 99.5 3.59 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 110.192 -3.186 . . . . 10.0 113.822 179.129 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HB3' ' HD3' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -98.49 144.25 28.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 116.905 -1.918 . . . . 10.0 108.006 178.82 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.476 ' HA ' ' CD2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.36 176.69 0.33 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 124.667 2.175 . . . . 10.0 113.863 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.29 -58.87 0.45 Allowed 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 110.056 -3.247 . . . . 10.0 110.461 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.33 163.47 3.76 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 112.014 -2.357 . . . . 10.0 111.7 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -112.03 -177.18 3.11 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 123.592 1.663 . . . . 10.0 113.961 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -175.83 106.16 0.08 Allowed 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 114.403 -1.271 . . . . 10.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t30 77.62 25.05 0.73 Allowed 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.916 -1.947 . . . . 10.0 110.105 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -68.18 -39.22 82.58 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 114.073 -1.421 . . . . 10.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -44.92 73.53 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 112.029 -2.35 . . . . 10.0 113.987 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -20.5 63.88 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 126.28 2.238 . . . . 10.0 114.352 -179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.95 -38.23 57.77 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.606 2.146 . . . . 10.0 111.365 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.11 -36.94 84.49 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 110.943 -2.844 . . . . 10.0 114.248 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -21.82 66.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.86 1.43 . . . . 10.0 114.86 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.14 -22.77 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 126.379 2.299 . . . . 10.0 113.067 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.83 3.35 33.8 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 126.7 2.5 . . . . 10.0 110.736 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 64.82 29.02 12.78 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 127.861 3.226 . . . . 10.0 112.699 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.97 147.59 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.348 2.905 . . . . 10.0 112.508 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.47 157.18 24.06 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 121.742 0.782 . . . . 10.0 112.422 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.33 -38.57 82.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 124.918 1.287 . . . . 10.0 112.637 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.01 97.77 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 123.528 1.632 . . . . 10.0 114.852 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -24.73 62.26 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-N 111.119 -2.764 . . . . 10.0 111.977 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -79.96 -30.45 39.84 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 114.709 -1.132 . . . . 10.0 111.863 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HD12 ' A' ' 35' ' ' LEU . 15.3 ttmm -78.71 -34.3 46.09 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 127.657 3.098 . . . . 10.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -74.54 -31.75 28.28 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.158 0 CA-C-N 114.711 -1.131 . . . . 10.0 109.477 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.11 60.67 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 124.083 1.897 . . . . 10.0 113.299 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.72 -34.7 78.42 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 110.305 -3.134 . . . . 10.0 113.664 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 31' ' ' LYS . 4.3 mt -94.82 0.08 54.56 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 113.255 -1.793 . . . . 10.0 112.176 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' A' ' 57' ' ' PHE . 8.6 mt -112.66 126.11 55.02 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 113.848 -1.524 . . . . 10.0 112.663 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -133.18 65.55 73.43 Favored Pre-proline 0 C--O 1.219 -0.539 0 CA-C-N 113.369 -1.741 . . . . 10.0 108.564 -179.625 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.08 164.2 17.62 Favored 'Trans proline' 0 CA--C 1.501 -1.139 0 C-N-CA 122.913 2.409 . . . . 10.0 114.007 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.17 126.37 53.57 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 126.434 2.334 . . . . 10.0 109.948 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.47 141.5 28.69 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 124.881 2.277 . . . . 10.0 111.306 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 12.1 tt0 -130.96 120.44 23.54 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.697 -2.501 . . . . 10.0 109.243 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' A' ' 8' ' ' TRP . 14.2 mt -113.86 139.98 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.751 -2.477 . . . . 10.0 111.83 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 50' ' ' ILE . 6.5 t -127.68 115.61 40.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 113.501 -1.681 . . . . 10.0 109.409 -179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -99.81 120.72 40.2 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -115.67 10.27 15.45 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 126.351 2.977 . . . . 10.0 111.477 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.62 -109.56 2.4 Favored Glycine 0 C--O 1.214 -1.146 0 CA-C-N 112.2 -2.273 . . . . 10.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -59.02 -42.06 89.26 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.868 -1.166 . . . . 10.0 109.392 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -86.7 158.61 19.39 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 126.52 2.388 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.5 ttm -166.69 130.7 2.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.444 2.965 . . . . 10.0 110.569 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG22 ' HB ' ' A' ' 43' ' ' VAL . 9.1 tt -113.59 151.18 15.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 113.107 -1.86 . . . . 10.0 109.676 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 119.33 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.804 0 CA-C-N 110.088 -3.233 . . . . 10.0 110.176 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.564 ' HD3' HG23 ' A' ' 61' ' ' ILE . 1.6 mpp_? -99.87 176.18 5.53 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 124.42 1.075 . . . . 10.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -163.67 83.28 0.46 Allowed 'General case' 0 C--O 1.209 -1.071 0 O-C-N 128.327 3.517 . . . . 10.0 108.395 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 54' ' ' LEU . 89.2 mt -79.13 89.27 4.83 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 109.191 -3.641 . . . . 10.0 114.158 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 p -121.35 126.09 48.6 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 111.974 -2.375 . . . . 10.0 108.831 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.99 79.75 0.65 Allowed 'General case' 0 C--O 1.22 -0.493 0 O-C-N 125.233 1.583 . . . . 10.0 109.647 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.534 ' CE2' ' CB ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 173.27 -39.46 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 127.862 3.227 . . . . 10.0 111.201 -179.774 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' PHE . 29.8 ttm-85 -164.72 90.62 0.54 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 126.365 2.291 . . . . 10.0 114.098 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -64.53 124.88 22.98 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.332 -2.667 . . . . 10.0 107.155 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -91.94 -74.29 0.52 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 124.664 2.173 . . . . 10.0 115.268 -178.522 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG23 ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER 55.82 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.405 1 CA-C-N 108.38 -4.009 . . . . 10.0 112.987 -175.043 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.472 ' H ' HG22 ' A' ' 61' ' ' ILE . 2.0 ptm 176.37 136.57 0.06 Allowed 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.793 -2.458 . . . . 10.0 111.861 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.47 117.53 30.03 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 112.521 -2.127 . . . . 10.0 114.754 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.65 176.97 5.45 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 123.633 1.682 . . . . 10.0 109.858 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.28 133.22 11.45 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 112.023 -2.353 . . . . 10.0 109.324 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.91 128.37 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-O 124.822 2.249 . . . . 10.0 109.642 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.22 -28.5 4.19 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.441 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -80.68 161.39 24.65 Favored 'General case' 0 C--O 1.208 -1.121 0 N-CA-C 113.94 1.089 . . . . 10.0 113.94 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -120.94 116.78 25.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 127.629 3.08 . . . . 10.0 110.109 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 17.7 p90 -136.44 150.56 48.79 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.446 2.341 . . . . 10.0 114.35 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -65.69 148.95 50.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 112.138 -2.301 . . . . 10.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -129.15 158.57 38.61 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 126.839 2.587 . . . . 10.0 112.654 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.78 21.75 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.443 -2.162 . . . . 10.0 110.75 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -109.45 55.87 0.63 Allowed 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.588 2.43 . . . . 10.0 112.442 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 75' ' ' THR . 9.3 t -99.0 127.24 44.88 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 124.127 1.918 . . . . 10.0 112.52 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.25 -13.94 8.34 Favored Glycine 0 C--O 1.21 -1.383 0 CA-C-N 111.419 -2.628 . . . . 10.0 108.966 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 mt -113.46 -61.13 2.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 110.785 -2.707 . . . . 10.0 110.688 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -166.2 29.01 0.04 OUTLIER 'General case' 0 C--N 1.345 0.37 0 C-N-CA 117.939 -1.504 . . . . 10.0 113.463 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 22.91 86.52 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.433 0 O-C-N 127.66 3.1 . . . . 10.0 114.338 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HG2' ' CB ' ' A' ' 74' ' ' LEU . 17.5 ptt85 -140.68 52.93 1.61 Allowed 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 114.529 -1.214 . . . . 10.0 112.071 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -48.56 120.64 3.86 Favored 'General case' 0 CA--C 1.518 -0.273 0 O-C-N 128.097 3.373 . . . . 10.0 111.582 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.56 -178.14 5.04 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 113.16 -1.837 . . . . 10.0 108.682 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtt -102.89 141.04 36.37 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 112.183 -2.28 . . . . 10.0 107.863 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.859 HG23 ' HG2' ' A' ' 97' ' ' GLN . 17.6 m -130.63 147.62 52.33 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 125.964 2.04 . . . . 10.0 111.683 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 m -145.34 140.93 28.07 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.947 -1.933 . . . . 10.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.48 130.84 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 CA-C-O 126.962 3.268 . . . . 10.0 112.057 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.93 -175.65 4.04 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 111.209 -2.723 . . . . 10.0 109.433 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 136.39 44.55 Favored 'General case' 0 CA--C 1.505 -0.779 0 O-C-N 126.879 2.612 . . . . 10.0 112.27 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -19.95 33.26 Favored 'General case' 0 CA--C 1.5 -0.981 0 CA-C-N 112.311 -2.222 . . . . 10.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.35 -70.43 0.46 Allowed Glycine 0 N--CA 1.47 0.962 0 CA-C-N 112.372 -2.195 . . . . 10.0 111.113 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -95.36 -54.34 3.44 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 112.51 -1.845 . . . . 10.0 108.567 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -89.29 153.45 20.88 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 126.646 2.466 . . . . 10.0 111.048 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.48 127.19 52.87 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 110.681 -2.963 . . . . 10.0 110.055 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 129.1 51.89 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 125.81 1.944 . . . . 10.0 111.691 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 t -111.58 102.57 10.89 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.371 3.544 . . . . 10.0 113.103 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 p -100.2 153.99 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 O-C-N 125.537 1.773 . . . . 10.0 112.919 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.859 ' HG2' HG23 ' A' ' 84' ' ' THR . 12.2 mt-30 -119.03 164.74 15.04 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 114.127 -1.397 . . . . 10.0 109.056 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.57 44.05 1.13 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.58 146.3 18.83 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 118.487 -1.816 . . . . 10.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.16 -32.77 49.47 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 124.478 2.085 . . . . 10.0 110.121 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -63.37 160.51 15.91 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 110.525 -3.034 . . . . 10.0 111.713 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.54 146.41 40.51 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 113.347 -1.751 . . . . 10.0 113.653 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.47 -94.5 0.09 OUTLIER Glycine 0 C--N 1.348 1.196 0 CA-C-N 111.809 -2.451 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.59 25.12 4.62 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.56 -1.82 . . . . 10.0 111.086 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.35 141.11 13.09 Favored Glycine 0 N--CA 1.465 0.57 0 CA-C-O 124.923 2.402 . . . . 10.0 112.161 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -100.04 178.76 4.7 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.45 -2.375 . . . . 10.0 112.839 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.6 m -163.91 118.9 1.55 Allowed 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.393 -1.73 . . . . 10.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.08 162.45 18.58 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 125.703 2.668 . . . . 10.0 109.391 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -148.08 -53.01 0.19 Allowed 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.538 -3.028 . . . . 10.0 114.337 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 4' ' ' PHE . 3.3 mt 73.91 145.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 125.987 2.055 . . . . 10.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -155.26 80.07 1.05 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 123.762 1.744 . . . . 10.0 109.186 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.91 -112.09 3.82 Favored Glycine 0 N--CA 1.474 1.189 0 N-CA-C 107.379 -2.288 . . . . 10.0 107.379 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.4 14.0 14.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 123.185 1.469 . . . . 10.0 113.275 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -110.92 108.44 18.22 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.144 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.457 HD12 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -79.2 110.55 14.56 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.162 1.934 . . . . 10.0 111.788 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -98.35 91.37 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 110.816 -2.902 . . . . 10.0 109.846 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 118' ' ' GLU . 4.8 tp -112.56 131.39 55.63 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 127.191 2.807 . . . . 10.0 112.573 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.624 ' N ' HD12 ' A' ' 117' ' ' LEU . 97.8 mt-10 -119.79 110.42 16.76 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 112.881 -1.963 . . . . 10.0 107.879 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.549 ' HG2' HD11 ' A' ' 117' ' ' LEU . 21.3 mtp -103.33 163.57 12.18 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 113.607 -1.633 . . . . 10.0 114.267 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -150.23 152.62 34.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 111.024 -2.807 . . . . 10.0 108.968 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 179.27 114.72 0.04 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 113.254 -1.794 . . . . 10.0 112.307 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.8 3.75 4.25 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 128.127 3.392 . . . . 10.0 113.088 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 104.94 17.7 13.8 Favored Glycine 0 N--CA 1.467 0.765 0 O-C-N 126.723 2.515 . . . . 10.0 111.307 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.69 119.82 58.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 CA-C-O 124.967 2.318 . . . . 10.0 109.961 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.7 m -91.55 126.6 36.69 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 125.121 2.391 . . . . 10.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.35 144.52 40.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 112.846 -1.979 . . . . 10.0 110.821 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -131.19 148.7 52.74 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 124.084 1.897 . . . . 10.0 110.692 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -124.22 136.95 54.54 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 112.6 -2.091 . . . . 10.0 108.888 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.1 t -117.35 127.44 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.023 0 CA-C-O 125.14 2.4 . . . . 10.0 113.538 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 10' ' ' MET . 66.8 m-85 -118.19 152.91 34.77 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.735 -2.029 . . . . 10.0 109.167 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -155.12 86.46 1.1 Allowed 'General case' 0 C--O 1.207 -1.161 0 O-C-N 125.46 1.725 . . . . 10.0 107.129 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.606 ' HD2' ' N ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -68.62 -147.37 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 O-C-N 129.805 4.441 . . . . 10.0 115.412 -178.772 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.606 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 1.0 OUTLIER -150.09 -49.08 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.128 0 CA-C-N 115.239 -0.891 . . . . 10.0 113.01 -175.067 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.559 ' N ' HG12 ' A' ' 133' ' ' VAL . 12.7 m-70 . . . . . 0 C--O 1.257 1.477 0 CA-C-O 118.001 -1.0 . . . . 10.0 111.968 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 CA--C 1.512 -0.509 0 N-CA-C 113.965 1.098 . . . . 10.0 113.965 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -89.89 -18.14 26.71 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 127.56 3.038 . . . . 10.0 110.174 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.91 151.78 11.08 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 125.629 1.83 . . . . 10.0 111.212 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.11 -165.86 16.88 Favored Glycine 0 C--O 1.214 -1.126 0 CA-C-N 113.392 -1.731 . . . . 10.0 109.785 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -116.35 134.1 55.26 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-N 113.752 -1.224 . . . . 10.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.3 m95 -132.29 113.2 12.94 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 125.298 1.624 . . . . 10.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.593 ' HG2' HG22 ' A' ' 133' ' ' VAL . 14.7 pttt -100.77 149.95 23.3 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 149.1 48.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.094 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -115.56 -56.53 2.33 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 124.978 2.323 . . . . 10.0 114.491 -179.473 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 p -141.88 178.63 7.37 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 110.965 -2.834 . . . . 10.0 109.195 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -132.28 158.64 41.32 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 111.32 -2.673 . . . . 10.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.39 109.58 1.13 Allowed 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 126.029 2.081 . . . . 10.0 113.358 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 23.95 3.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 126.997 2.685 . . . . 10.0 110.181 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.657 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 39.4 t80 -74.76 -40.57 61.15 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 112.876 -1.965 . . . . 10.0 111.962 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.22 -38.39 87.81 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.839 3.212 . . . . 10.0 113.571 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -28.43 62.39 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 179.65 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.49 -29.57 64.97 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.653 2.47 . . . . 10.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.657 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 93.0 mt -77.38 -33.69 55.14 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.726 1.891 . . . . 10.0 112.854 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -31.1 72.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.729 1.252 . . . . 10.0 113.721 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.0 89.91 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 109.994 -3.276 . . . . 10.0 113.376 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.2 1.08 54.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 113.332 -1.758 . . . . 10.0 110.475 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 56.21 65.48 1.42 Allowed 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 114.34 -1.3 . . . . 10.0 113.138 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.44 138.41 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 111.383 -2.644 . . . . 10.0 108.482 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -52.65 152.11 3.92 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 125.212 1.57 . . . . 10.0 113.936 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.66 -26.15 34.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-O 124.393 2.044 . . . . 10.0 113.559 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.34 60.47 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 110.219 -3.173 . . . . 10.0 110.178 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 tt -75.88 -26.02 56.66 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 110.683 -2.962 . . . . 10.0 109.547 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -79.09 -25.35 43.07 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-N 114.568 -1.196 . . . . 10.0 111.487 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -75.49 -39.77 58.13 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.663 -2.062 . . . . 10.0 109.317 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.4 mt -73.91 -29.19 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-N 111.516 -2.584 . . . . 10.0 112.196 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 16' ' ' PHE . . . -72.24 -22.69 61.2 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 125.263 1.602 . . . . 10.0 112.158 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -22.98 66.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.309 1.596 . . . . 10.0 115.309 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.48 35.19 4.91 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 112.433 -2.167 . . . . 10.0 111.622 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.691 HD21 ' HB2' ' A' ' 57' ' ' PHE . 1.1 tp -124.2 117.24 24.15 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 110.669 -2.969 . . . . 10.0 109.723 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -141.21 67.11 25.86 Favored Pre-proline 0 CA--C 1.5 -0.968 0 O-C-N 127.583 3.052 . . . . 10.0 112.622 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -52.82 164.77 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.31 2.673 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.03 112.17 15.57 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 110.418 -3.083 . . . . 10.0 111.49 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.53 146.29 29.29 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 110.931 -2.85 . . . . 10.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -133.01 104.93 6.78 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 111.478 -2.601 . . . . 10.0 108.726 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.2 mm -91.24 142.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 127.441 2.963 . . . . 10.0 110.766 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' A' ' 50' ' ' ILE . 8.8 p -136.65 49.42 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 O-C-N 126.357 2.285 . . . . 10.0 111.185 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 103.77 0.07 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.858 -2.883 . . . . 10.0 114.148 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -115.61 74.31 0.88 Allowed 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 126.166 2.166 . . . . 10.0 113.573 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.37 -121.89 6.39 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 126.779 2.549 . . . . 10.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -26.04 56.83 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 125.799 2.714 . . . . 10.0 114.142 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.65 146.48 25.28 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.17 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.2 ptm -152.68 144.0 23.25 Favored 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.069 3.356 . . . . 10.0 108.409 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.717 ' HB ' HG12 ' A' ' 43' ' ' VAL . 73.6 mt -118.38 112.55 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-O 125.247 2.451 . . . . 10.0 114.537 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mt -94.86 90.67 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-N 110.424 -3.08 . . . . 10.0 110.479 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.13 167.09 14.79 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 112.502 -2.136 . . . . 10.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.3 m -159.87 86.2 0.77 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.133 1.521 . . . . 10.0 109.05 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.7 mt -90.06 112.52 24.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.025 2.078 . . . . 10.0 113.487 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -155.7 142.12 18.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 111.517 -2.583 . . . . 10.0 109.824 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -63.28 -17.21 62.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 111.175 -2.739 . . . . 10.0 113.877 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.691 ' HB2' HD21 ' A' ' 36' ' ' LEU . 19.6 t80 -81.08 -55.64 4.63 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.145 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -164.75 123.09 1.73 Allowed 'General case' 0 C--N 1.352 0.707 0 CA-C-N 112.595 -2.093 . . . . 10.0 114.792 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.23 171.65 13.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 116.798 -1.961 . . . . 10.0 107.204 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -133.33 -72.47 0.5 Allowed 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 125.311 2.481 . . . . 10.0 114.426 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp 63.6 143.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.489 1 CA-C-N 108.307 -4.042 . . . . 10.0 110.854 -176.027 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 mtt -129.11 -52.6 1.2 Allowed 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 113.106 -1.861 . . . . 10.0 115.294 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.13 61.56 0.74 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 114.711 -1.131 . . . . 10.0 108.603 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -69.37 166.62 18.24 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 112.366 -2.197 . . . . 10.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -156.48 101.7 2.03 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 125.214 1.571 . . . . 10.0 107.951 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -54.28 123.0 4.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 CA-C-N 113.779 -1.555 . . . . 10.0 112.215 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.42 19.56 41.2 Favored Glycine 0 C--O 1.207 -1.547 0 O-C-N 126.029 2.081 . . . . 10.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.39 139.98 50.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 123.223 1.487 . . . . 10.0 113.261 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -106.6 136.99 45.43 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 124.749 2.214 . . . . 10.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -163.19 153.92 16.5 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 124.859 2.266 . . . . 10.0 110.304 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -54.02 160.19 1.58 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 111.318 -2.674 . . . . 10.0 111.826 -179.763 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 8.4 tp10 -148.68 104.82 3.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.279 2.237 . . . . 10.0 112.161 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -103.16 117.43 34.52 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 111.143 -2.753 . . . . 10.0 110.423 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 74' ' ' LEU . 5.9 mp -103.21 46.37 0.92 Allowed 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.833 2.583 . . . . 10.0 112.624 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -92.05 118.7 31.05 Favored 'General case' 0 CA--C 1.495 -1.148 0 O-C-N 126.303 2.252 . . . . 10.0 109.487 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.73 -16.22 7.88 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 113.47 -1.696 . . . . 10.0 109.829 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 77' ' ' ILE . 4.8 mt -105.01 -63.49 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 110.916 -2.642 . . . . 10.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 6.25 2.69 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.539 -2.119 . . . . 10.0 114.534 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.72 82.26 0.11 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 122.95 1.357 . . . . 10.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.02 -174.52 4.97 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.177 -3.192 . . . . 10.0 113.696 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.74 123.66 0.54 Allowed 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 124.332 2.015 . . . . 10.0 112.669 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.7 m -144.48 -175.21 4.55 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 113.82 -1.536 . . . . 10.0 110.024 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.6 mtp -118.68 144.9 45.9 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 127.353 2.908 . . . . 10.0 108.181 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.499 HG22 ' H ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -130.8 166.32 21.07 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 125.141 2.401 . . . . 10.0 113.696 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.499 ' H ' HG22 ' A' ' 84' ' ' THR . 1.3 m -158.26 149.78 21.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 110.754 -2.93 . . . . 10.0 111.636 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.77 143.04 35.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 CA-C-N 111.223 -2.717 . . . . 10.0 108.649 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 m -148.08 84.31 1.52 Allowed 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 114.022 -1.445 . . . . 10.0 113.719 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -56.27 133.32 52.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.933 2.646 . . . . 10.0 108.623 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.3 89.17 2.21 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 124.334 1.054 . . . . 10.0 112.594 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.91 -121.04 5.76 Favored Glycine 0 C--O 1.209 -1.449 0 O-C-N 126.598 2.436 . . . . 10.0 114.118 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -100.24 17.37 21.5 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 112.531 -1.834 . . . . 10.0 114.474 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -133.58 -179.21 5.38 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 125.945 2.783 . . . . 10.0 110.189 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.501 ' C ' HD23 ' A' ' 93' ' ' LEU . 9.6 tt -157.04 114.63 3.14 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 124.933 2.301 . . . . 10.0 112.61 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.17 141.31 43.26 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.943 -1.935 . . . . 10.0 111.891 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.2 m -115.5 89.63 3.15 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 123.916 1.817 . . . . 10.0 110.052 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -89.6 137.15 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 113.995 -1.457 . . . . 10.0 109.064 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' NE2' ' CZ2' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -117.95 146.13 44.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.146 -1.388 . . . . 10.0 109.753 -179.643 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.32 74.83 0.9 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.582 1.176 . . . . 10.0 109.099 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.79 -161.96 19.08 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-O 125.534 2.741 . . . . 10.0 109.502 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -105.7 119.95 40.44 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 112.091 -2.054 . . . . 10.0 107.53 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.739 ' CG ' ' N ' ' A' ' 102' ' ' GLU . 1.9 ttmt 62.11 169.67 0.12 Allowed 'General case' 0 C--O 1.206 -1.187 0 O-C-N 128.58 3.675 . . . . 10.0 108.012 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.739 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 2.1 mt-10 80.64 108.31 0.07 Allowed 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.366 4.792 . . . . 10.0 108.005 176.514 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -28.77 -43.95 0.04 OUTLIER Glycine 0 N--CA 1.473 1.117 1 O-C-N 131.465 5.478 . . . . 10.0 106.944 178.236 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER 52.0 170.52 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.966 0 O-C-N 127.472 2.513 . . . . 10.0 115.991 177.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.83 111.4 3.18 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 110.317 -3.129 . . . . 10.0 114.358 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.434 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 7.8 m0 -106.47 119.7 39.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 111.301 -2.45 . . . . 10.0 107.459 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 p -112.07 160.69 17.27 Favored 'General case' 0 CA--C 1.494 -1.202 0 O-C-N 126.662 2.476 . . . . 10.0 114.041 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -144.28 129.68 18.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 111.548 -2.569 . . . . 10.0 112.385 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 9.0 t90 -152.82 87.87 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 110.392 -3.095 . . . . 10.0 113.258 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.62 144.41 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 O-C-N 127.719 3.137 . . . . 10.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -152.86 78.33 1.18 Allowed 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 123.75 1.738 . . . . 10.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.88 -128.75 9.61 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 110.317 -3.129 . . . . 10.0 109.225 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 6.57 39.67 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 112.63 -1.785 . . . . 10.0 112.996 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -117.05 146.74 42.9 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 113.633 -1.621 . . . . 10.0 108.209 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.496 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 1.3 tt -103.03 92.21 4.45 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.123 -1.853 . . . . 10.0 112.784 179.745 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.54 149.28 25.88 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 111.695 -2.502 . . . . 10.0 109.655 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 107' ' ' THR . 7.8 tp -157.62 128.53 6.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 113.195 -1.821 . . . . 10.0 113.89 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -117.96 84.46 2.17 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 126.618 2.449 . . . . 10.0 114.406 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.0 mtp -76.43 119.27 20.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 112.867 -1.969 . . . . 10.0 111.311 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -115.65 138.91 50.61 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 125.699 1.875 . . . . 10.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.38 140.61 11.49 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 112.543 -2.117 . . . . 10.0 108.456 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 47.15 28.56 0.98 Allowed 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 123.51 1.624 . . . . 10.0 113.92 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.91 78.97 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 112.41 -2.177 . . . . 10.0 114.791 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.5 126.39 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.656 HG22 ' HE2' ' A' ' 127' ' ' LYS . 18.5 m -84.58 131.01 34.66 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 126.445 2.341 . . . . 10.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 135.35 34.95 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.612 1.195 . . . . 10.0 108.87 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -121.4 123.8 42.99 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 114.893 -1.049 . . . . 10.0 112.814 179.802 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -116.97 86.3 2.48 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 123.78 1.752 . . . . 10.0 107.76 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.72 124.65 14.42 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 108.968 -3.742 . . . . 10.0 111.227 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.16 160.15 16.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.061 -1.427 . . . . 10.0 110.075 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.781 ' HB2' HD12 ' A' ' 11' ' ' LEU . 25.6 tptp -145.58 107.45 4.3 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 124.303 2.002 . . . . 10.0 111.046 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 4.0 tttm -52.25 130.78 31.62 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.372 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' A' ' 9' ' ' LYS . 1.6 t -89.04 -59.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-N 112.815 -1.993 . . . . 10.0 113.212 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.827 0 CA-C-N 114.008 -1.451 . . . . 10.0 113.058 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.489 1.223 0 CA-C-O 125.683 2.285 . . . . 10.0 109.78 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.59 123.46 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 111.431 -2.622 . . . . 10.0 109.132 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.44 88.98 1.6 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 111.923 -2.399 . . . . 10.0 109.71 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.801 ' HB3' HG21 ' A' ' 42' ' ' ILE . 48.7 m-85 -68.09 -33.41 74.48 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.215 -1.811 . . . . 10.0 115.095 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -55.04 87.46 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 124.632 2.158 . . . . 10.0 114.263 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -168.62 -154.58 9.0 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 113.035 -1.893 . . . . 10.0 110.075 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.92 130.09 46.32 Favored 'General case' 0 CA--C 1.498 -1.051 0 O-C-N 125.802 1.53 . . . . 10.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -136.35 124.85 23.52 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 113.243 -1.799 . . . . 10.0 114.942 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HD3' HG22 ' A' ' 133' ' ' VAL . 42.3 pttt -111.46 144.87 39.98 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.443 0.64 . . . . 10.0 110.075 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 ttp -78.4 137.69 38.13 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-O 122.626 1.203 . . . . 10.0 110.727 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -56.09 3.22 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 112.736 -2.029 . . . . 10.0 113.65 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.6 -172.21 4.16 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 112.48 -2.146 . . . . 10.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -155.75 133.62 11.27 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.815 -2.448 . . . . 10.0 108.766 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.25 -17.28 14.92 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.984 -2.825 . . . . 10.0 112.555 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -144.4 32.34 1.2 Allowed 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' HB2' ' CB ' ' A' ' 13' ' ' ASN . 19.1 t80 -74.97 -23.53 58.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 113.726 -1.579 . . . . 10.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.66 -44.09 24.59 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.13 -1.396 . . . . 10.0 113.497 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -70.78 -29.67 65.93 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 112.655 -2.066 . . . . 10.0 112.71 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -77.71 -23.47 49.46 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 111.873 -2.421 . . . . 10.0 111.476 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 25' ' ' VAL . 11.6 mt -77.66 -28.23 51.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 125.706 2.67 . . . . 10.0 109.027 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 -26.03 61.36 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.633 -2.985 . . . . 10.0 112.821 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 -30.29 66.46 Favored 'General case' 0 CA--C 1.499 -0.983 0 O-C-N 125.272 1.608 . . . . 10.0 112.711 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -101.26 5.96 42.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.913 -1.949 . . . . 10.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 50.26 63.26 2.27 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 111.651 -2.522 . . . . 10.0 114.627 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.51 HG11 HD22 ' A' ' 20' ' ' LEU . 2.1 t -83.86 141.14 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.552 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 25' ' ' VAL . 5.7 m-20 -49.38 160.73 0.23 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 112.9 -1.955 . . . . 10.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.34 -24.44 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 124.323 2.011 . . . . 10.0 112.803 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.04 -46.31 24.19 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.1 1.905 . . . . 10.0 111.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -30.18 71.36 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 113.096 -1.866 . . . . 10.0 114.88 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 30' ' ' ARG . 12.9 ttm105 -72.16 -32.31 66.74 Favored 'General case' 0 CA--C 1.497 -1.078 0 O-C-N 127.767 3.167 . . . . 10.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.22 62.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.788 -2.46 . . . . 10.0 114.538 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -74.26 -43.74 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 O-C-N 127.977 3.298 . . . . 10.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.72 -20.55 65.02 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 126.392 2.307 . . . . 10.0 114.564 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -70.17 -37.98 75.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.436 -1.256 . . . . 10.0 113.682 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.55 -15.82 47.79 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 127.159 2.787 . . . . 10.0 108.747 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 57' ' ' PHE . 1.7 mp -91.18 150.43 21.37 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 125.626 2.631 . . . . 10.0 109.776 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.19 76.15 1.01 Allowed Pre-proline 0 C--O 1.216 -0.66 0 CA-C-N 110.889 -2.869 . . . . 10.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -44.74 143.64 4.05 Favored 'Trans proline' 0 CA--C 1.497 -1.359 0 O-C-N 126.85 3.026 . . . . 10.0 113.285 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.27 117.02 32.97 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 127.022 2.701 . . . . 10.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -89.87 132.31 35.35 Favored 'General case' 0 C--O 1.209 -1.067 0 O-C-N 125.847 1.967 . . . . 10.0 113.359 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 99.8 5.89 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 110.672 -2.967 . . . . 10.0 108.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.801 HG21 ' HB3' ' A' ' 4' ' ' PHE . 3.2 mp -84.6 144.79 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-N 113.269 -1.787 . . . . 10.0 110.581 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.06 90.88 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 112.02 -2.355 . . . . 10.0 110.038 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -76.49 137.79 39.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.347 1.459 . . . . 10.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -160.6 72.41 0.46 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 124.092 1.901 . . . . 10.0 111.501 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.59 7.51 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 114.18 -1.373 . . . . 10.0 112.58 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.89 -5.64 59.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 127.285 2.403 . . . . 10.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 112.41 -2.177 . . . . 10.0 110.031 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.72 123.58 23.88 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 127.36 2.913 . . . . 10.0 111.565 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 50' ' ' ILE . 2.2 mt -108.48 132.49 56.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 127.543 3.027 . . . . 10.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mt -111.36 104.37 16.96 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 111.906 -2.406 . . . . 10.0 109.556 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -72.24 159.86 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 124.238 1.97 . . . . 10.0 112.438 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.8 m -156.72 104.56 2.16 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 113.208 -1.814 . . . . 10.0 107.414 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.24 97.84 5.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 127.589 3.056 . . . . 10.0 111.698 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 5.28 24.84 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 110.81 -2.905 . . . . 10.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.79 18.63 10.86 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.383 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -118.14 -57.3 2.1 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.775 -1.557 . . . . 10.0 108.657 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -158.58 124.24 4.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 124.493 2.092 . . . . 10.0 109.069 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -79.23 125.44 29.47 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 112.995 -1.911 . . . . 10.0 112.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -135.01 87.95 2.38 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.477 -2.147 . . . . 10.0 111.443 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.63 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.9 mp -93.84 145.45 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 CA-C-N 112.727 -2.033 . . . . 10.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.3 mtt -130.17 158.68 39.04 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 127.144 2.777 . . . . 10.0 109.556 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.14 94.75 4.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.967 1.365 . . . . 10.0 109.046 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CD2' HG21 ' A' ' 86' ' ' VAL . 1.9 m-85 -86.62 102.0 13.77 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 111.712 -2.494 . . . . 10.0 111.724 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -89.16 96.05 10.56 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 126.285 2.241 . . . . 10.0 109.071 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -53.92 116.13 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 O-C-N 125.394 1.684 . . . . 10.0 114.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.55 61.84 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 127.225 2.828 . . . . 10.0 112.983 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.97 155.04 21.33 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.549 1.381 . . . . 10.0 114.575 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -90.04 149.79 22.37 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 124.47 1.106 . . . . 10.0 113.973 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 37.7 p90 -161.77 143.52 11.33 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 126.402 2.314 . . . . 10.0 111.455 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.48 162.21 26.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.548 3.03 . . . . 10.0 109.121 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -154.14 95.1 1.8 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 123.565 1.65 . . . . 10.0 114.352 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -79.8 109.75 14.51 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 111.296 -2.684 . . . . 10.0 108.804 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD23 HD13 ' A' ' 77' ' ' ILE . 7.8 mt -86.92 24.19 1.56 Allowed 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 125.55 1.781 . . . . 10.0 115.303 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -70.76 114.56 8.96 Favored 'General case' 0 CA--C 1.5 -0.946 0 O-C-N 121.062 -1.024 . . . . 10.0 108.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.35 -20.56 4.42 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 124.141 1.967 . . . . 10.0 109.381 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.543 HD13 HD23 ' A' ' 74' ' ' LEU . 4.0 mp -100.45 -69.66 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 109.608 -3.296 . . . . 10.0 107.484 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.14 22.18 0.96 Allowed 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 127.383 2.927 . . . . 10.0 113.547 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 52.2 78.75 0.12 Allowed 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 113.153 -1.84 . . . . 10.0 113.672 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.09 166.57 24.31 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 112.583 -2.099 . . . . 10.0 109.46 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -148.24 133.81 18.75 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 126.452 2.345 . . . . 10.0 108.2 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 19.4 p -163.14 -176.03 4.63 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 124.22 1.962 . . . . 10.0 113.234 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.9 mtt -115.03 127.31 55.57 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 111.472 -2.604 . . . . 10.0 108.46 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.4 m -126.76 145.72 50.5 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.926 -1.488 . . . . 10.0 113.975 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.89 159.12 42.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.576 -1.193 . . . . 10.0 108.679 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.595 HG21 ' CD2' ' A' ' 64' ' ' PHE . 49.1 t -137.32 135.56 47.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 CA-C-O 124.786 2.231 . . . . 10.0 110.011 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -125.9 167.59 15.04 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 112.044 -2.344 . . . . 10.0 115.007 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -124.47 75.08 1.37 Allowed 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.542 3.026 . . . . 10.0 111.933 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -49.58 5.49 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.18 2.8 . . . . 10.0 110.452 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.08 -117.99 0.42 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-O 123.891 1.828 . . . . 10.0 110.97 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -74.75 -13.66 60.62 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 113.569 -1.315 . . . . 10.0 110.347 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -110.2 170.6 7.97 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 126.469 2.356 . . . . 10.0 111.575 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 tp -114.92 143.2 45.53 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.834 3.209 . . . . 10.0 109.017 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -140.94 124.91 17.17 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.75 -1.18 . . . . 10.0 112.058 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.32 133.16 56.29 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 126.405 3.003 . . . . 10.0 107.987 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.36 137.08 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 111.56 -2.563 . . . . 10.0 111.032 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -113.1 126.82 55.88 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 113.338 -1.756 . . . . 10.0 108.889 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -94.43 49.46 1.28 Allowed 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 125.79 1.931 . . . . 10.0 110.766 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.35 -146.14 18.9 Favored Glycine 0 C--O 1.21 -1.399 0 CA-C-O 124.497 2.165 . . . . 10.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -173.29 2.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 112.047 -2.076 . . . . 10.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm 69.44 -171.27 0.18 Allowed 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 126.318 2.261 . . . . 10.0 108.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -138.75 89.38 2.36 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.323 -2.217 . . . . 10.0 113.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 163.66 -36.19 0.31 Allowed Glycine 0 C--N 1.353 1.518 0 CA-C-N 109.254 -3.612 . . . . 10.0 112.159 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.42 93.96 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 127.263 3.411 . . . . 10.0 112.549 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.85 95.55 0.1 OUTLIER Glycine 0 C--N 1.348 1.197 0 CA-C-N 111.159 -2.746 . . . . 10.0 108.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.497 ' CZ2' ' HG2' ' A' ' 119' ' ' MET . 2.3 m0 -65.66 162.51 18.29 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 125.649 2.643 . . . . 10.0 115.409 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -149.54 145.66 26.96 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 110.272 -3.149 . . . . 10.0 108.084 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.57 162.97 33.24 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.272 2.233 . . . . 10.0 113.694 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -169.23 108.19 0.43 Allowed 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.792 -2.458 . . . . 10.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.404 ' C ' ' HG2' ' A' ' 111' ' ' GLU . 8.8 mt -81.65 143.03 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.645 3.091 . . . . 10.0 109.202 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.404 ' HG2' ' C ' ' A' ' 110' ' ' ILE . 3.1 mt-10 -135.73 44.38 2.51 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 111.71 -2.495 . . . . 10.0 114.465 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -119.75 4.96 Favored Glycine 0 C--O 1.213 -1.218 0 CA-C-N 114.465 -1.243 . . . . 10.0 114.477 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.1 36.42 2.24 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 112.905 -1.648 . . . . 10.0 113.555 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.49 107.24 2.39 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 127.177 2.798 . . . . 10.0 109.389 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.0 93.61 4.49 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 123.624 1.678 . . . . 10.0 114.1 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -92.95 153.68 18.62 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 110.327 -3.124 . . . . 10.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.853 HD11 ' HE3' ' A' ' 119' ' ' MET . 1.8 pt? -166.09 170.63 13.26 Favored 'General case' 0 CA--C 1.495 -1.147 0 CA-C-O 124.183 1.944 . . . . 10.0 111.047 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.94 95.67 4.01 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 111.887 -2.415 . . . . 10.0 112.905 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.853 ' HE3' HD11 ' A' ' 117' ' ' LEU . 24.3 mtt -77.28 141.12 40.12 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.3 -2.227 . . . . 10.0 109.747 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -132.93 139.25 47.24 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.887 3.242 . . . . 10.0 110.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -161.97 116.23 1.89 Allowed 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.408 -2.178 . . . . 10.0 114.144 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 60.2 22.27 11.62 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.38 0.86 59.4 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 112.536 -2.12 . . . . 10.0 113.657 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.95 139.44 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 O-C-N 128.512 3.125 . . . . 10.0 108.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -106.82 125.67 51.3 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 127.672 3.107 . . . . 10.0 111.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 111.13 18.06 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 124.502 2.096 . . . . 10.0 113.686 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.22 115.12 29.13 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.888 -1.506 . . . . 10.0 108.508 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.498 ' HB2' ' HE1' ' A' ' 119' ' ' MET . 0.0 OUTLIER -123.43 116.13 22.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.108 -2.769 . . . . 10.0 107.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.71 118.47 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.167 0 N-CA-C 115.78 1.77 . . . . 10.0 115.78 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -104.31 139.76 38.84 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.929 2.018 . . . . 10.0 108.954 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -112.55 140.93 46.89 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.044 -1.435 . . . . 10.0 113.318 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 140.75 58.34 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.005 -2.361 . . . . 10.0 108.176 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.463 HG22 ' HD3' ' A' ' 9' ' ' LYS . 62.1 t -106.28 -25.33 3.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 128.64 3.712 . . . . 10.0 113.698 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.1 p80 . . . . . 0 C--O 1.26 1.619 0 O-C-N 125.444 1.715 . . . . 10.0 111.691 -179.838 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.761 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo . . . . . 0 N--CA 1.491 1.36 0 CA-C-O 123.414 1.339 . . . . 10.0 113.529 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 t -110.1 85.21 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 CA-C-O 123.827 1.775 . . . . 10.0 112.736 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.68 138.81 33.68 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 110.565 -3.016 . . . . 10.0 110.108 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -82.41 -6.87 59.56 Favored 'General case' 0 CA--C 1.511 -0.558 0 O-C-N 127.222 2.826 . . . . 10.0 113.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -62.62 134.35 56.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.8 -2.909 . . . . 10.0 109.106 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.67 -163.96 23.18 Favored Glycine 0 C--O 1.212 -1.222 0 CA-C-N 111.611 -2.541 . . . . 10.0 112.395 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 41' ' ' GLU . 3.7 m-85 -112.3 141.72 45.66 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 127.058 2.269 . . . . 10.0 108.408 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 1.3 m95 -146.31 118.52 8.34 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.48 -1.236 . . . . 10.0 113.431 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -116.51 151.14 36.73 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-N 112.487 -2.142 . . . . 10.0 108.82 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.6 ptm -87.69 148.46 24.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 110.516 -3.038 . . . . 10.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.65 -67.14 0.96 Allowed 'General case' 0 CA--C 1.497 -1.062 0 O-C-N 128.84 3.837 . . . . 10.0 112.622 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 t -136.11 162.75 32.06 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.29 179.48 4.1 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 115.553 -0.749 . . . . 10.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -139.43 -48.56 0.48 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 112.849 -1.978 . . . . 10.0 114.057 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -139.92 38.81 1.98 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 125.809 2.719 . . . . 10.0 108.282 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CD2' ' C ' ' A' ' 16' ' ' PHE . 51.5 t80 -65.38 -34.42 78.27 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 113.064 -1.88 . . . . 10.0 115.43 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -73.21 -48.4 35.42 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 111.361 -2.654 . . . . 10.0 113.421 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.19 -27.41 68.67 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 126.17 2.169 . . . . 10.0 113.848 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.499 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 57.0 t80 -66.03 -33.5 75.94 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.729 -3.396 . . . . 10.0 113.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' HB3' HG11 ' A' ' 25' ' ' VAL . 8.0 mt -78.45 -31.3 47.91 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 114.517 -1.22 . . . . 10.0 113.931 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -24.72 65.88 Favored 'General case' 0 C--O 1.21 -0.983 0 O-C-N 126.861 2.6 . . . . 10.0 113.257 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 -25.79 58.24 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 127.025 3.298 . . . . 10.0 113.127 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.1 7.54 46.41 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 110.446 -3.07 . . . . 10.0 108.494 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 51.95 51.42 16.52 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 113.322 -1.763 . . . . 10.0 114.849 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 20' ' ' LEU . 3.8 p -69.99 149.25 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 113.25 -1.795 . . . . 10.0 107.793 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.1 161.09 19.68 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 125.413 2.53 . . . . 10.0 110.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.45 -30.1 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 CA-C-N 111.863 -2.426 . . . . 10.0 113.361 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -71.57 -42.13 68.2 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-O 122.699 1.238 . . . . 10.0 112.203 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.483 HD23 ' H41' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -68.01 -22.01 65.01 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 113.549 -1.66 . . . . 10.0 112.174 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.36 -27.44 46.92 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.504 -1.226 . . . . 10.0 109.604 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -39.55 53.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 112.205 -2.271 . . . . 10.0 110.766 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -71.33 -44.4 72.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 113.077 -1.874 . . . . 10.0 112.977 -179.639 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.12 48.94 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 127.411 2.944 . . . . 10.0 114.797 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.98 -36.75 59.11 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 112.54 -2.118 . . . . 10.0 111.34 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 35' ' ' LEU . 1.1 mt -91.87 -4.05 55.27 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 126.855 2.597 . . . . 10.0 112.557 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 57' ' ' PHE . 1.8 tp -95.09 133.22 39.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 109.603 -3.453 . . . . 10.0 112.707 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -141.54 74.89 23.01 Favored Pre-proline 0 C--O 1.215 -0.749 0 CA-C-N 110.102 -3.226 . . . . 10.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -68.73 168.74 19.26 Favored 'Trans proline' 0 CA--C 1.499 -1.237 0 CA-C-O 124.296 1.707 . . . . 10.0 111.586 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.11 142.51 47.53 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.144 -1.844 . . . . 10.0 108.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 129.39 48.18 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 124.338 2.018 . . . . 10.0 113.781 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 1.4 tt0 -115.42 108.21 16.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 110.687 -2.96 . . . . 10.0 109.824 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 42' ' ' ILE . 3.4 mm -91.1 148.04 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.296 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.44 72.19 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 O-C-N 128.219 3.449 . . . . 10.0 110.972 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.96 129.26 35.91 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 125.355 1.659 . . . . 10.0 112.84 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 -50.82 2.93 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 126.805 2.566 . . . . 10.0 110.786 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.76 91.01 0.08 OUTLIER Glycine 0 C--O 1.209 -1.443 0 O-C-N 127.086 2.741 . . . . 10.0 112.764 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.28 31.29 2.42 Favored 'General case' 0 C--O 1.209 -1.065 0 C-N-CA 125.056 1.343 . . . . 10.0 109.666 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 121.75 8.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.661 3.726 . . . . 10.0 108.142 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.8 mtm -131.91 88.86 2.61 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 126.523 2.39 . . . . 10.0 112.451 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.62 104.92 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-O 124.145 1.926 . . . . 10.0 113.586 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -89.92 109.36 20.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.507 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -100.84 123.42 45.0 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 111.165 -2.743 . . . . 10.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.1 m -107.31 112.68 25.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 123.65 1.691 . . . . 10.0 108.531 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.84 143.2 38.35 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.238 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -28.55 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 112.847 -1.979 . . . . 10.0 114.849 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m 94.18 -15.49 0.11 Allowed 'General case' 0 C--O 1.209 -1.031 0 O-C-N 127.374 2.921 . . . . 10.0 111.583 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.597 ' HB3' HD21 ' A' ' 36' ' ' LEU . 10.3 t80 -84.92 -30.21 24.53 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 123.328 1.537 . . . . 10.0 108.965 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -177.75 132.25 0.16 Allowed 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 109.583 -3.462 . . . . 10.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.88 106.99 18.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.919 -2.4 . . . . 10.0 113.132 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -114.0 109.18 18.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 113.606 -1.633 . . . . 10.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.9 144.2 35.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 CA-C-N 114.318 -1.31 . . . . 10.0 113.082 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.43 147.05 12.17 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 128.112 3.382 . . . . 10.0 111.267 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.43 89.09 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 127.63 3.081 . . . . 10.0 111.312 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.21 124.13 22.62 Favored 'General case' 0 C--O 1.209 -1.065 0 O-C-N 128.325 3.515 . . . . 10.0 112.384 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.3 134.51 46.57 Favored 'General case' 0 CA--C 1.495 -1.169 0 O-C-N 126.168 2.168 . . . . 10.0 110.287 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.25 125.87 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 O-C-N 126.887 2.617 . . . . 10.0 113.22 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.58 -18.6 56.14 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 114.462 -1.244 . . . . 10.0 113.225 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -110.57 150.04 29.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 114.199 1.185 . . . . 10.0 114.199 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HA ' HG23 ' A' ' 85' ' ' THR . 1.7 tm-20 -88.1 144.0 26.75 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 124.469 1.106 . . . . 10.0 112.445 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -168.33 155.22 7.62 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 127.781 3.175 . . . . 10.0 114.196 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.73 168.34 0.2 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 110.745 -2.934 . . . . 10.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.79 67.16 1.4 Allowed 'General case' 0 C--O 1.219 -0.516 0 O-C-N 128.03 3.331 . . . . 10.0 110.659 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.78 99.05 0.21 Allowed 'General case' 0 C--N 1.35 0.604 0 CA-C-N 110.44 -3.073 . . . . 10.0 112.72 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 tp -120.25 78.66 1.37 Allowed 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 125.96 2.79 . . . . 10.0 111.574 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.16 32.36 6.16 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 111.422 -2.626 . . . . 10.0 111.061 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' ILE . . . -144.49 23.55 2.02 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 109.773 -3.376 . . . . 10.0 109.361 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 76' ' ' GLY . 2.3 mp -154.22 -72.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 113.446 -1.377 . . . . 10.0 113.006 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.546 ' N ' HG22 ' A' ' 77' ' ' ILE . 1.3 p30 -117.3 3.35 12.58 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 113.057 -1.883 . . . . 10.0 114.726 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 50.37 67.49 0.91 Allowed 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 126.993 3.282 . . . . 10.0 112.948 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -134.93 149.72 50.29 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 109.807 -3.361 . . . . 10.0 111.301 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 107.97 8.18 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 127.141 2.775 . . . . 10.0 109.54 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.3 m -141.28 177.45 8.09 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.643 -1.286 . . . . 10.0 114.391 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.1 mtp -103.95 141.97 35.23 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 125.369 1.668 . . . . 10.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -142.65 145.95 33.97 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 125.546 2.593 . . . . 10.0 112.694 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -131.28 160.05 36.07 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 110.565 -3.016 . . . . 10.0 110.961 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.55 114.09 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 112.26 -2.245 . . . . 10.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.25 154.07 17.72 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.799 3.187 . . . . 10.0 108.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.51 116.56 19.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.203 -1.362 . . . . 10.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -85.49 -59.58 2.28 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 127.135 2.772 . . . . 10.0 114.238 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 155.94 118.49 0.6 Allowed Glycine 0 C--N 1.35 1.345 0 CA-C-N 114.364 -1.289 . . . . 10.0 111.19 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.7 23.62 9.68 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 125.462 1.331 . . . . 10.0 111.297 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -156.45 169.11 25.37 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 127.546 3.029 . . . . 10.0 108.579 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 tt -151.46 136.41 17.33 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 126.991 2.682 . . . . 10.0 114.052 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.751 ' CG ' HG22 ' A' ' 107' ' ' THR . 6.7 mp0 -129.76 157.49 42.04 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 124.454 2.073 . . . . 10.0 111.642 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.4 m -121.25 108.22 13.48 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 110.829 -2.896 . . . . 10.0 111.79 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.96 123.91 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 O-C-N 125.748 1.905 . . . . 10.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.0 148.25 43.19 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 124.844 1.34 . . . . 10.0 108.858 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -88.65 -89.55 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 127.444 2.965 . . . . 10.0 113.242 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.14 -153.27 5.99 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-O 123.801 1.779 . . . . 10.0 109.785 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -155.68 66.4 0.61 Allowed 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.219 -1.99 . . . . 10.0 113.915 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.521 ' HB3' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -149.86 163.62 37.56 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 124.813 2.244 . . . . 10.0 109.044 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.07 101.69 0.9 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 111.161 -2.745 . . . . 10.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.63 -110.04 2.49 Favored Glycine 0 C--O 1.226 -0.37 0 CA-C-N 111.034 -2.803 . . . . 10.0 113.127 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.521 ' CD ' ' HB3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 54.63 91.49 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.77 0 O-C-N 129.092 3.466 . . . . 10.0 111.997 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.01 123.42 0.67 Allowed Glycine 0 C--O 1.21 -1.378 0 CA-C-N 109.753 -3.385 . . . . 10.0 109.936 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.41 ' CD1' ' N ' ' A' ' 106' ' ' TRP . 0.1 OUTLIER -97.17 169.66 9.65 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 125.259 2.457 . . . . 10.0 109.931 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.751 HG22 ' CG ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -151.52 150.23 30.12 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 110.583 -3.008 . . . . 10.0 111.819 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -134.41 150.42 50.87 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 125.853 1.971 . . . . 10.0 109.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.414 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 7.2 t90 -169.13 79.24 0.12 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 111.526 -2.579 . . . . 10.0 109.145 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.7 mt -52.64 130.93 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-N 110.203 -3.181 . . . . 10.0 111.759 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -128.61 78.91 1.88 Allowed 'General case' 0 CA--C 1.513 -0.472 0 O-C-N 126.663 2.477 . . . . 10.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.18 -130.17 10.14 Favored Glycine 0 C--O 1.216 -1.025 0 CA-C-N 114.327 -1.306 . . . . 10.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 29.21 1.95 Allowed 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -143.88 151.44 39.85 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 114.611 -1.177 . . . . 10.0 111.278 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -102.33 101.65 11.93 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 123.387 1.565 . . . . 10.0 112.69 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -91.56 138.83 31.26 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 114.28 -1.327 . . . . 10.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 pp -157.42 143.4 17.61 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 126.117 2.135 . . . . 10.0 111.52 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.06 92.86 3.28 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 123.997 1.856 . . . . 10.0 112.268 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.7 mtm -80.41 169.18 18.06 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 112.617 -2.083 . . . . 10.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -147.76 142.99 27.22 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 113.489 -1.687 . . . . 10.0 113.186 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.52 111.11 0.9 Allowed 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 114.1 1.148 . . . . 10.0 114.1 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 70.19 21.49 5.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.641 1.21 . . . . 10.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.01 0.37 71.49 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.086 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 50.3 t -91.93 123.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.615 -1.292 . . . . 10.0 114.02 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.81 131.28 37.28 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 128.358 3.536 . . . . 10.0 112.376 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.499 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 2.5 t -131.84 114.23 14.45 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 111.874 -2.421 . . . . 10.0 111.121 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -116.56 132.18 56.75 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 112.005 -2.361 . . . . 10.0 112.558 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -118.89 124.02 46.08 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 111.245 -2.707 . . . . 10.0 112.744 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.7 t -93.51 110.14 22.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 112.976 -1.92 . . . . 10.0 108.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.461 ' HB2' ' HB3' ' A' ' 115' ' ' LEU . 3.1 m-85 -97.55 169.89 9.4 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 112.555 -2.111 . . . . 10.0 110.31 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 134.8 20.64 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 110.014 -3.266 . . . . 10.0 108.869 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.431 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 9.5 tttt -97.77 133.61 42.05 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 110.879 -2.873 . . . . 10.0 108.658 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.0 t -100.22 -46.13 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 112.166 -2.288 . . . . 10.0 109.815 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.26 1.652 0 CA-C-N 110.673 -2.967 . . . . 10.0 111.067 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.683 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo . . . . . 0 N--CA 1.507 2.287 0 CA-C-O 124.733 1.889 . . . . 10.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.38 139.92 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 110.924 -2.853 . . . . 10.0 110.336 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.66 100.52 0.28 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 113.44 -1.709 . . . . 10.0 112.133 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 42' ' ' ILE . 6.1 m-85 -97.59 -40.44 8.62 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 126.145 2.153 . . . . 10.0 110.224 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.92 117.7 5.78 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 110.953 -2.839 . . . . 10.0 111.932 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.07 -145.16 10.43 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 123.807 1.782 . . . . 10.0 109.884 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HB2' ' HB ' ' A' ' 133' ' ' VAL . 5.8 m-85 -137.81 124.11 20.57 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 121.672 -0.899 . . . . 10.0 110.205 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 1.6 m95 -129.38 120.5 25.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 124.789 2.233 . . . . 10.0 112.774 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.7 -179.73 3.74 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 111.895 -2.411 . . . . 10.0 108.4 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 175.97 5.31 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.681 1.705 . . . . 10.0 113.853 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -136.17 -56.53 0.76 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 110.177 -3.192 . . . . 10.0 109.715 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.6 179.28 8.52 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 113.494 -1.684 . . . . 10.0 114.236 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.93 169.66 10.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 111.182 -2.736 . . . . 10.0 108.515 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.64 -58.03 0.48 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 125.083 1.489 . . . . 10.0 113.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -136.22 40.98 2.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 127.839 3.212 . . . . 10.0 108.73 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -70.18 -31.49 68.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 111.268 -2.696 . . . . 10.0 112.612 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.85 -46.2 46.44 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.4 -1.273 . . . . 10.0 112.366 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.44 -27.58 65.38 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.163 -0.926 . . . . 10.0 112.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 70.9 t80 -73.25 -28.08 61.94 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 126.602 2.438 . . . . 10.0 110.621 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.624 HD21 H182 ' A' ' 135' ' ' RTL . 12.7 mt -73.67 -44.47 56.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.475 -1.239 . . . . 10.0 110.786 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -65.41 -20.93 66.59 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.354 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.06 62.69 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 123.771 1.748 . . . . 10.0 112.165 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.58 -15.16 27.26 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 110.554 -3.021 . . . . 10.0 110.07 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 76.57 61.78 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 126.154 2.159 . . . . 10.0 114.635 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.7 155.52 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 114.517 -1.22 . . . . 10.0 110.357 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.35 167.89 0.18 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 126.746 2.529 . . . . 10.0 112.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -77.82 -27.36 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 110.857 -2.883 . . . . 10.0 113.314 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.05 -47.53 24.36 Favored 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 129.111 4.007 . . . . 10.0 113.414 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -28.5 69.83 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 125.147 2.403 . . . . 10.0 113.976 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -27.19 52.72 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 110.549 -3.023 . . . . 10.0 111.344 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -79.89 -31.41 40.27 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 109.733 -3.394 . . . . 10.0 114.39 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.72 HG22 ' CZ ' ' A' ' 57' ' ' PHE . 43.9 mt -78.85 -43.26 24.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 112.309 -2.223 . . . . 10.0 113.088 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -27.82 69.56 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.587 -1.642 . . . . 10.0 112.843 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.79 -32.38 73.63 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 125.188 1.555 . . . . 10.0 113.275 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 35' ' ' LEU . 43.3 mt -78.59 -49.62 12.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.945 1.831 . . . . 10.0 112.609 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 57' ' ' PHE . 2.6 mm? -62.5 150.23 40.77 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 109.484 -3.507 . . . . 10.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -143.97 82.37 11.07 Favored Pre-proline 0 C--O 1.211 -0.931 0 O-C-N 126.829 2.581 . . . . 10.0 108.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.97 -179.11 0.21 Allowed 'Trans proline' 0 CA--C 1.494 -1.499 1 O-C-N 129.084 4.202 . . . . 10.0 111.642 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -145.68 155.99 43.35 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 112.451 -2.159 . . . . 10.0 109.345 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 42' ' ' ILE . 21.4 mttp -121.07 132.93 55.18 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -116.49 122.02 43.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 127.035 2.71 . . . . 10.0 107.664 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' A' ' 4' ' ' PHE . 4.7 mp -121.6 133.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 O-C-N 126.446 2.341 . . . . 10.0 113.759 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.71 81.03 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 127.351 2.907 . . . . 10.0 113.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -71.71 131.35 43.01 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-N 111.74 -2.482 . . . . 10.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.53 21.26 10.21 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 124.571 2.129 . . . . 10.0 114.146 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 108.25 0.59 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 112.342 -2.208 . . . . 10.0 110.75 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 59.7 21.92 10.68 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 126.203 1.767 . . . . 10.0 110.696 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 48' ' ' HIS . 14.1 t-160 -158.62 112.8 2.47 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.293 -2.23 . . . . 10.0 109.348 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttm -128.88 138.03 51.79 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.125 -2.761 . . . . 10.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.3 mt -118.42 109.45 27.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 126.331 2.269 . . . . 10.0 108.452 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.484 HD12 H152 ' A' ' 135' ' ' RTL . 49.1 mt -99.84 109.06 23.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.333 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -101.26 110.2 22.18 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 109.88 -3.327 . . . . 10.0 112.949 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 102.94 14.81 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 112.413 -2.176 . . . . 10.0 107.952 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.28 119.67 25.91 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 112.963 -1.926 . . . . 10.0 114.459 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.09 166.16 26.16 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.055 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.7 p -81.75 -17.02 49.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 123.214 1.483 . . . . 10.0 112.095 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.72 ' CZ ' HG22 ' A' ' 32' ' ' ILE . 2.3 m-85 -85.47 -47.41 9.96 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.965 -1.471 . . . . 10.0 113.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -170.17 144.98 2.71 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 127.305 2.878 . . . . 10.0 114.295 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -84.63 124.52 31.55 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.676 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -120.07 97.3 5.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 125.54 2.59 . . . . 10.0 111.822 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.6 126.12 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.57 ' HE3' ' HG2' ' A' ' 72' ' ' GLU . 32.9 mtp -130.06 124.75 33.56 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 124.831 1.332 . . . . 10.0 110.064 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -90.53 57.22 3.56 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 114.583 -1.19 . . . . 10.0 112.149 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -47.88 141.17 5.96 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.796 1.284 . . . . 10.0 114.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.21 113.02 13.93 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 111.746 -2.479 . . . . 10.0 107.678 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -84.12 125.09 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.074 0 CA-C-O 124.023 1.868 . . . . 10.0 114.203 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.99 -26.45 19.16 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 110.941 -2.845 . . . . 10.0 111.334 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 169.53 8.53 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 127.514 2.538 . . . . 10.0 112.604 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -113.92 139.43 49.21 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 112.366 -2.197 . . . . 10.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 8.1 p90 -160.88 145.27 13.8 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.638 -1.619 . . . . 10.0 110.726 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.61 161.92 5.58 Favored 'General case' 0 N--CA 1.462 0.145 0 O-C-N 126.673 2.483 . . . . 10.0 110.165 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HG2' ' HE3' ' A' ' 62' ' ' MET . 4.0 tt0 -139.41 133.46 31.06 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 110.831 -2.895 . . . . 10.0 109.153 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.7 119.13 38.3 Favored 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 127.301 2.875 . . . . 10.0 109.596 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.35 24.78 8.37 Favored 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 125.905 2.003 . . . . 10.0 110.683 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.1 p -75.9 135.26 40.13 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 126.899 3.238 . . . . 10.0 110.411 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.26 -12.49 55.15 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.64 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.477 HG23 H183 ' A' ' 135' ' ' RTL . 2.4 mp -112.77 -85.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 111.374 -2.413 . . . . 10.0 108.622 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.95 11.09 3.94 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.3 t0 40.94 89.09 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 125.796 1.935 . . . . 10.0 114.224 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.68 46.44 0.71 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 123.336 1.541 . . . . 10.0 110.146 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -39.56 120.32 1.07 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 109.556 -3.475 . . . . 10.0 113.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.4 m -148.46 -175.4 4.9 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 118.382 -1.327 . . . . 10.0 114.441 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.21 143.64 26.45 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 125.209 1.568 . . . . 10.0 110.072 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 133.92 24.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 123.923 1.82 . . . . 10.0 113.948 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.5 148.03 45.65 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-N 111.669 -2.514 . . . . 10.0 109.717 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.86 143.33 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 119.457 -0.897 . . . . 10.0 109.568 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -140.99 -166.92 2.26 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 126.475 2.359 . . . . 10.0 109.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -137.8 160.24 39.8 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 125.823 1.952 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.66 57.43 1.11 Allowed 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 123.686 1.708 . . . . 10.0 112.13 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.96 -96.34 2.0 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-N 113.4 -1.727 . . . . 10.0 114.747 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -93.57 -18.33 22.35 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 127.364 2.45 . . . . 10.0 114.766 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 156.33 37.3 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.24 88.49 2.78 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 128.07 3.356 . . . . 10.0 108.639 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -93.17 151.96 19.52 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 125.913 2.008 . . . . 10.0 107.948 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 16.7 m -117.32 157.57 25.89 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 126.656 2.472 . . . . 10.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.2 133.83 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 111.969 -2.378 . . . . 10.0 111.804 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -97.52 168.79 10.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.043 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -143.24 58.35 1.4 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 117.863 -1.535 . . . . 10.0 108.905 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.63 72.61 0.33 Allowed Glycine 0 C--N 1.339 0.733 0 CA-C-N 112.418 -2.174 . . . . 10.0 114.6 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 63.04 -159.56 0.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 O-C-N 127.677 2.634 . . . . 10.0 114.39 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.409 ' HB3' ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER 68.37 -175.44 0.2 Allowed 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.701 1.239 . . . . 10.0 109.021 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -164.01 101.15 0.87 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 124.918 2.294 . . . . 10.0 108.661 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.61 -36.38 1.17 Allowed Glycine 0 N--CA 1.465 0.576 0 CA-C-N 110.088 -3.233 . . . . 10.0 113.19 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 101' ' ' LYS . 21.8 ptt-85 -45.18 148.64 0.58 Allowed 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 127.737 2.669 . . . . 10.0 113.026 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.13 87.81 0.48 Allowed Glycine 0 C--N 1.351 1.383 0 CA-C-N 110.05 -3.25 . . . . 10.0 109.49 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.95 134.46 43.14 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 126.169 1.746 . . . . 10.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 147.63 43.9 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 127.38 2.925 . . . . 10.0 109.994 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.13 162.69 18.2 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 110.405 -3.088 . . . . 10.0 109.277 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -140.06 -62.02 0.51 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 112.276 -2.238 . . . . 10.0 114.085 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CG1' ' HG ' ' A' ' 115' ' ' LEU . 3.8 mt 70.26 142.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 128.153 3.408 . . . . 10.0 112.419 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -126.27 -175.17 3.3 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 110.373 -3.103 . . . . 10.0 110.54 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.89 -46.42 60.58 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 113.495 -1.684 . . . . 10.0 111.229 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.17 69.66 0.78 Allowed 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.538 -0.831 . . . . 10.0 111.742 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 164.6 130.49 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.934 0 O-C-N 127.421 2.951 . . . . 10.0 109.386 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.528 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -90.93 113.8 26.11 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 111.932 -2.395 . . . . 10.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -107.89 102.45 11.64 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 113.006 -1.907 . . . . 10.0 110.763 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -124.02 149.49 45.99 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.121 2.763 . . . . 10.0 108.891 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -128.72 97.98 4.85 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.384 -1.735 . . . . 10.0 113.078 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 71.3 mtp -86.99 127.79 35.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 127.354 2.909 . . . . 10.0 113.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -125.43 155.62 40.16 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.339 2.274 . . . . 10.0 111.47 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -170.06 128.65 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 128.021 3.325 . . . . 10.0 112.482 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 64.07 17.14 10.45 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.4 1.259 . . . . 10.0 114.4 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.28 57.46 Favored Glycine 0 C--O 1.216 -0.993 0 O-C-N 125.278 1.611 . . . . 10.0 113.345 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.73 137.87 24.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 111.755 -2.223 . . . . 10.0 108.592 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 m -111.55 133.46 53.81 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 112.598 -2.092 . . . . 10.0 113.365 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -137.92 132.03 31.79 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 112.178 -2.283 . . . . 10.0 110.516 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.17 18.5 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 113.487 -1.688 . . . . 10.0 113.14 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -96.53 140.27 31.4 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 125.039 1.336 . . . . 10.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.73 99.53 8.73 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 124.237 1.97 . . . . 10.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -100.24 136.5 40.04 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-N 111.597 -2.547 . . . . 10.0 107.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 9.2 tptm -103.45 126.88 50.86 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 110.929 -2.851 . . . . 10.0 114.588 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -75.18 151.51 38.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 128.796 3.81 . . . . 10.0 109.373 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 134' ' ' HIS . 24.3 t -115.22 -71.91 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 111.447 -2.615 . . . . 10.0 108.428 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.438 ' N ' HG12 ' A' ' 133' ' ' VAL . 2.4 t-80 . . . . . 0 C--O 1.245 0.823 0 O-C-N 127.057 2.723 . . . . 10.0 112.588 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.624 H182 HD21 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.51 2.484 0 CA-C-O 123.87 1.529 . . . . 10.0 111.081 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -76.98 131.75 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 113.348 -1.751 . . . . 10.0 107.807 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -132.85 125.2 29.46 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 128.057 3.348 . . . . 10.0 112.526 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -87.14 -21.08 26.18 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 112.033 -2.349 . . . . 10.0 113.842 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -49.36 133.31 19.95 Favored 'General case' 0 CA--C 1.507 -0.686 0 O-C-N 124.636 1.21 . . . . 10.0 111.723 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.34 -158.88 23.61 Favored Glycine 0 C--O 1.208 -1.508 0 CA-C-O 123.307 1.504 . . . . 10.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.56 129.51 55.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.563 -1.819 . . . . 10.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.467 ' CD1' HD12 ' A' ' 42' ' ' ILE . 20.8 m95 -123.51 118.6 27.75 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 124.946 1.404 . . . . 10.0 109.042 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HG2' ' CG2' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.79 143.49 44.56 Favored 'General case' 0 C--O 1.21 -1.021 0 O-C-N 126.69 2.493 . . . . 10.0 109.595 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.53 168.77 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 126.883 3.23 . . . . 10.0 115.449 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -142.51 -56.62 0.44 Allowed 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 109.568 -3.469 . . . . 10.0 109.778 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 p -170.7 147.79 2.87 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 126.567 2.417 . . . . 10.0 109.368 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.95 127.65 32.85 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 112.69 -2.05 . . . . 10.0 108.639 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -113.58 146.6 39.45 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 127.389 2.931 . . . . 10.0 112.33 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 51.3 27.62 3.72 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 125.545 2.593 . . . . 10.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -76.22 -30.91 58.14 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 113.079 -1.873 . . . . 10.0 112.479 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -27.24 57.47 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 111.162 -2.744 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.65 -29.59 59.17 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 112.081 -2.327 . . . . 10.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -73.38 -23.99 60.25 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 111.956 -2.384 . . . . 10.0 110.421 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 20' ' ' LEU . 55.1 mt -76.0 -39.18 56.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 126.063 2.102 . . . . 10.0 112.973 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' NH1' HH11 ' A' ' 30' ' ' ARG . 1.9 ttp-105 -62.84 -23.41 67.28 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 113.031 -1.895 . . . . 10.0 115.158 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -23.83 60.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 112.92 -1.945 . . . . 10.0 111.824 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 19' ' ' TYR . 25.0 mt -106.48 29.91 6.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.298 -1.319 . . . . 10.0 111.668 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 35.62 43.01 0.15 Allowed 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 128.471 3.607 . . . . 10.0 115.308 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -78.43 141.77 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.803 -2.908 . . . . 10.0 108.638 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -45.99 153.05 0.33 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-O 123.136 1.445 . . . . 10.0 111.413 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 p -72.48 -20.19 19.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 CA-C-N 110.271 -3.149 . . . . 10.0 111.729 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.88 -37.22 55.91 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 112.129 -2.305 . . . . 10.0 109.66 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.52 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -68.4 -22.24 64.64 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.282 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.449 HH11 ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.6 -30.57 41.56 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 125.998 2.061 . . . . 10.0 108.64 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -39.97 89.42 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 126.866 2.604 . . . . 10.0 111.73 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 57' ' ' PHE . 60.6 mt -79.04 -38.3 20.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 110.346 -3.115 . . . . 10.0 111.907 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -59.52 -22.87 62.27 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.884 -2.416 . . . . 10.0 114.713 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.62 -22.4 66.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.795 -1.548 . . . . 10.0 113.694 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.78 24.27 7.75 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 126.571 2.419 . . . . 10.0 113.564 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.531 HD12 H162 ' A' ' 135' ' ' RTL . 0.5 OUTLIER -105.6 94.41 5.19 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 111.804 -2.453 . . . . 10.0 109.195 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -129.59 82.38 67.47 Favored Pre-proline 0 CA--C 1.504 -0.792 0 CA-C-N 110.933 -2.849 . . . . 10.0 108.241 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 36' ' ' LEU . 4.2 Cg_exo -67.76 -171.86 0.36 Allowed 'Trans proline' 0 CA--C 1.494 -1.521 0 O-C-N 127.156 3.187 . . . . 10.0 114.68 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.28 170.51 11.8 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 111.61 -2.541 . . . . 10.0 108.512 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -141.34 145.13 35.04 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 125.256 1.598 . . . . 10.0 114.197 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -138.93 128.91 25.13 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 110.609 -2.996 . . . . 10.0 108.618 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.467 HD12 ' CD1' ' A' ' 8' ' ' TRP . 3.2 mt -121.69 145.02 28.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-N 111.841 -2.436 . . . . 10.0 112.782 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.06 80.94 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 111.876 -2.42 . . . . 10.0 110.008 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' HG2' ' CE ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -50.89 119.21 3.71 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 123.668 1.699 . . . . 10.0 114.037 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -152.15 99.9 2.57 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.263 -2.244 . . . . 10.0 108.011 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.08 131.93 1.04 Allowed Glycine 0 C--O 1.211 -1.302 0 O-C-N 126.615 2.447 . . . . 10.0 113.534 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 69.25 34.06 3.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.172 1.175 . . . . 10.0 114.172 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.464 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 1.4 m170 158.8 80.06 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 126.353 2.283 . . . . 10.0 112.32 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.448 ' CE ' ' HG2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -94.71 101.04 12.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.616 -1.629 . . . . 10.0 108.285 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.51 121.68 36.59 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 O-C-N 127.966 3.291 . . . . 10.0 110.046 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.49 108.45 25.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 111.92 -2.4 . . . . 10.0 108.883 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.97 151.48 23.71 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 110.159 -3.201 . . . . 10.0 109.555 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.7 m -148.82 96.31 2.55 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 128.866 3.854 . . . . 10.0 109.25 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.58 82.09 2.41 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 124.576 2.131 . . . . 10.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -100.61 -4.06 29.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 111.153 -2.749 . . . . 10.0 113.836 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.06 24.73 6.3 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 112.937 -1.938 . . . . 10.0 113.55 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -127.48 -68.5 0.78 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 126.582 2.426 . . . . 10.0 110.836 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.54 62.09 1.62 Allowed 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 112.761 -2.018 . . . . 10.0 111.677 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 8.8 m120 -31.56 93.73 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 127.931 3.27 . . . . 10.0 113.424 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 62' ' ' MET . 3.1 t80 -83.18 73.04 10.13 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 128.718 3.761 . . . . 10.0 114.649 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 59' ' ' ASN . 1.3 mp -100.0 117.16 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 109.879 -3.328 . . . . 10.0 112.528 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.433 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 18.7 mtt -146.86 152.09 38.14 Favored 'General case' 0 CA--C 1.495 -1.146 0 CA-C-O 124.127 1.917 . . . . 10.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -96.9 71.77 2.52 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 110.338 -3.119 . . . . 10.0 113.215 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.2 115.03 2.21 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 112.814 -1.994 . . . . 10.0 112.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 27.0 mt-30 -91.14 143.4 26.72 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 112.84 -1.982 . . . . 10.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.37 125.95 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-O 123.975 1.845 . . . . 10.0 111.943 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.86 20.51 59.43 Favored Glycine 0 C--O 1.215 -1.091 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.802 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -134.46 141.91 46.92 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-O 125.034 2.349 . . . . 10.0 114.539 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -90.63 102.44 15.19 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 111.98 -2.373 . . . . 10.0 108.034 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 70' ' ' PHE . 21.9 p90 -134.39 150.19 50.87 Favored 'General case' 0 CA--C 1.494 -1.193 0 O-C-N 127.633 3.083 . . . . 10.0 110.327 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.91 133.52 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 113.899 -1.501 . . . . 10.0 113.96 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -105.85 97.43 7.26 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.904 2.003 . . . . 10.0 113.2 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.35 105.98 2.34 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 112.174 -2.284 . . . . 10.0 112.639 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.99 10.62 34.92 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.411 1.694 . . . . 10.0 112.826 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 75' ' ' THR . 1.2 m -58.75 99.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 123.123 1.439 . . . . 10.0 111.275 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.09 -29.1 0.9 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 113.18 -1.827 . . . . 10.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.91 -65.59 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 113.567 -1.316 . . . . 10.0 112.95 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.9 1.58 8.69 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.684 1.865 . . . . 10.0 112.964 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 t70 48.43 90.45 0.02 OUTLIER 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.739 1.733 . . . . 10.0 114.339 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.25 123.25 0.13 Allowed 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.04 1.126 . . . . 10.0 114.04 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -84.97 128.99 34.87 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 125.625 1.828 . . . . 10.0 109.463 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 m -144.17 154.26 42.97 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 125.283 2.468 . . . . 10.0 110.531 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtt -81.93 138.04 35.06 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 110.391 -3.095 . . . . 10.0 111.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 85' ' ' THR . 2.7 m -127.41 153.96 45.61 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.32 -3.127 . . . . 10.0 113.406 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.451 ' N ' HG22 ' A' ' 84' ' ' THR . 0.2 OUTLIER -151.28 147.21 26.69 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 111.075 -2.784 . . . . 10.0 109.875 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.738 ' CG1' HD11 ' A' ' 93' ' ' LEU . 48.6 t -131.23 117.63 37.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 126.694 2.497 . . . . 10.0 110.402 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -122.67 156.94 33.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 124.948 2.308 . . . . 10.0 113.737 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 140.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 111.438 -2.619 . . . . 10.0 112.333 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.56 112.59 2.46 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 111.985 -2.371 . . . . 10.0 114.29 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.86 56.73 7.33 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.122 -0.944 . . . . 10.0 113.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 46.61 37.01 4.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 125.045 1.085 . . . . 10.0 113.913 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.52 109.78 8.37 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 127.041 2.713 . . . . 10.0 109.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.738 HD11 ' CG1' ' A' ' 86' ' ' VAL . 13.1 tp -81.89 130.37 35.05 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.034 -2.348 . . . . 10.0 111.404 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -134.09 164.51 27.17 Favored 'General case' 0 C--O 1.209 -1.071 0 CA-C-N 110.277 -3.147 . . . . 10.0 109.507 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 158.44 26.74 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 113.35 -1.75 . . . . 10.0 108.717 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.37 104.97 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 112.496 -2.138 . . . . 10.0 108.972 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -109.47 106.58 16.39 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.409 -1.723 . . . . 10.0 108.132 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -44.95 -55.87 5.1 Favored 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.088 3.368 . . . . 10.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.78 -157.94 0.14 Allowed Glycine 0 C--O 1.209 -1.411 0 O-C-N 126.271 2.232 . . . . 10.0 113.81 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.49 18.54 4.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 113.478 -1.361 . . . . 10.0 112.179 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -125.36 174.24 8.29 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 126.889 2.618 . . . . 10.0 108.585 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -102.71 137.68 40.61 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 124.896 1.372 . . . . 10.0 111.614 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.27 24.27 52.01 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-N 111.538 -2.574 . . . . 10.0 112.503 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -83.77 129.43 34.94 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.983 -1.608 . . . . 10.0 113.137 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.87 142.39 4.71 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 112.98 -1.918 . . . . 10.0 111.344 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -96.31 -175.57 3.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 113.574 -1.313 . . . . 10.0 113.055 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.8 m -160.54 117.55 2.42 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 128.062 3.351 . . . . 10.0 110.413 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.561 ' HG2' HD21 ' A' ' 115' ' ' LEU . 6.0 mt-30 -103.53 126.57 50.76 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 126.097 2.123 . . . . 10.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 10.6 t90 -147.84 103.36 3.49 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.751 1.739 . . . . 10.0 108.658 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.3 mt -78.45 151.67 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.835 0 CA-C-N 113.026 -1.897 . . . . 10.0 112.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -137.13 75.69 1.54 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 110.689 -2.96 . . . . 10.0 110.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.67 -106.55 2.54 Favored Glycine 0 C--O 1.213 -1.214 0 CA-C-N 112.431 -2.168 . . . . 10.0 110.588 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.71 71.54 0.76 Allowed 'General case' 0 CA--C 1.497 -1.087 0 CA-C-N 111.111 -2.545 . . . . 10.0 111.3 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.69 140.66 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 111.142 -2.754 . . . . 10.0 109.905 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.561 HD21 ' HG2' ' A' ' 108' ' ' GLN . 0.9 OUTLIER -98.72 108.04 20.64 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 111.044 -2.798 . . . . 10.0 114.197 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 94.52 9.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-N 111.686 -2.507 . . . . 10.0 110.806 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.543 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.0 tp -107.04 138.04 43.97 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.695 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -131.28 95.04 3.68 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 127.962 3.289 . . . . 10.0 113.421 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.12 133.1 35.07 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 125.29 1.619 . . . . 10.0 111.155 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -126.62 140.19 52.61 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 115.096 -0.956 . . . . 10.0 110.811 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -155.95 114.56 3.44 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 127.627 3.079 . . . . 10.0 111.415 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.59 19.91 4.91 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 112.868 -1.969 . . . . 10.0 112.268 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.51 -14.72 64.11 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 111.241 -2.709 . . . . 10.0 112.108 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.5 t -79.68 130.46 36.01 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.955 0 O-C-N 125.579 1.399 . . . . 10.0 108.009 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 55.0 m -97.1 131.65 43.66 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 112.69 -2.05 . . . . 10.0 113.509 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -124.29 118.3 26.48 Favored 'General case' 0 C--N 1.341 0.204 0 O-C-N 125.661 1.851 . . . . 10.0 108.577 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -114.72 114.7 25.97 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 126.098 2.124 . . . . 10.0 112.956 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -106.34 155.29 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 127.819 3.199 . . . . 10.0 108.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.92 124.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 O-C-N 125.062 1.476 . . . . 10.0 113.263 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.408 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 52.7 m-85 -116.91 118.48 32.57 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 122.455 1.122 . . . . 10.0 109.728 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 tmtp? -82.38 127.87 33.68 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 123.982 1.849 . . . . 10.0 109.688 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 136.69 36.57 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' ' 9' ' ' LYS . 1.7 t -125.28 1.2 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 114.315 -1.311 . . . . 10.0 113.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.5 m80 . . . . . 0 C--O 1.242 0.693 0 CA-C-O 113.516 -3.135 . . . . 10.0 110.854 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.542 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.51 2.446 0 CA-C-O 122.196 0.832 . . . . 10.0 111.774 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.82 114.19 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-N 113.392 -1.731 . . . . 10.0 111.503 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.14 130.8 56.86 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.354 -1.293 . . . . 10.0 109.738 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.586 ' HB3' HG21 ' A' ' 42' ' ' ILE . 5.2 m-30 -101.86 -16.94 16.41 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.799 3.187 . . . . 10.0 114.043 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -54.36 115.45 2.1 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 126.157 2.161 . . . . 10.0 113.683 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.71 -171.78 31.16 Favored Glycine 0 C--O 1.216 -0.996 0 CA-C-O 125.316 2.62 . . . . 10.0 112.517 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.441 ' C ' ' CG ' ' A' ' 8' ' ' TRP . 8.1 m-85 -103.92 143.1 33.3 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 112.67 -1.765 . . . . 10.0 113.313 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.736 ' CE3' HD13 ' A' ' 115' ' ' LEU . 10.1 m95 -146.79 146.11 30.14 Favored 'General case' 0 CA--C 1.501 -0.929 1 O-C-N 129.154 4.034 . . . . 10.0 110.169 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -128.8 156.65 43.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 128.045 3.341 . . . . 10.0 110.302 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 128.96 41.67 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 128.112 3.383 . . . . 10.0 110.76 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.98 -60.74 1.62 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 110.069 -3.241 . . . . 10.0 111.653 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -144.48 150.12 37.08 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 112.609 -2.087 . . . . 10.0 109.584 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.464 HD21 ' HA ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -101.53 -178.59 3.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 124.145 1.926 . . . . 10.0 109.979 179.479 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -173.7 114.84 0.22 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 111.897 -2.41 . . . . 10.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 57.38 33.49 23.36 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 124.957 2.313 . . . . 10.0 112.564 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 78.3 t80 -78.45 -25.97 46.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.331 -2.213 . . . . 10.0 108.414 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -75.41 -39.62 58.78 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 128.013 3.321 . . . . 10.0 111.985 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.16 -25.78 60.94 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.635 2.46 . . . . 10.0 112.028 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.75 -29.0 50.82 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.374 -2.194 . . . . 10.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.56 -30.58 66.04 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.301 -2.227 . . . . 10.0 113.097 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -71.71 -25.26 62.01 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 113.666 -1.606 . . . . 10.0 114.307 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 122' ' ' GLU . . . -71.31 -27.83 63.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.494 1.14 . . . . 10.0 112.554 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -97.04 7.7 46.09 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 125.296 2.474 . . . . 10.0 107.986 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER 51.29 44.52 28.79 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.379 -1.737 . . . . 10.0 114.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.41 132.41 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.173 0 CA-C-N 113.153 -1.84 . . . . 10.0 111.511 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -45.44 153.82 0.22 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 125.74 2.686 . . . . 10.0 114.998 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 27' ' ' VAL . 6.5 t -68.99 -28.72 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 CA-C-N 111.28 -2.691 . . . . 10.0 113.193 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.84 47.8 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 124.734 2.207 . . . . 10.0 111.633 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -29.76 66.94 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 111.172 -2.74 . . . . 10.0 111.525 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -75.39 -33.48 61.01 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 125.938 2.024 . . . . 10.0 113.065 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -34.01 77.07 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 127.156 2.785 . . . . 10.0 111.418 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -78.52 -34.17 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.009 0 CA-C-N 109.44 -3.527 . . . . 10.0 112.109 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -66.72 -23.84 66.16 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-O 124.151 1.929 . . . . 10.0 112.593 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -70.86 -28.06 64.29 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.631 -1.293 . . . . 10.0 112.59 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.5 mt -90.61 -37.16 13.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 126.986 2.679 . . . . 10.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.23 166.91 17.12 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 110.562 -3.017 . . . . 10.0 114.215 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.94 68.13 0.07 OUTLIER Pre-proline 0 C--O 1.21 -1.003 0 CA-C-N 110.499 -3.046 . . . . 10.0 108.488 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -56.23 170.6 1.11 Allowed 'Trans proline' 0 C--O 1.21 -0.92 0 O-C-N 126.064 2.613 . . . . 10.0 113.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.31 138.62 36.15 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 111.927 -2.397 . . . . 10.0 111.43 -179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -105.19 130.85 53.25 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.969 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -125.31 97.86 5.39 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.571 -1.195 . . . . 10.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' A' ' 4' ' ' PHE . 4.3 mp -82.64 131.34 33.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 C-N-CA 119.568 -0.853 . . . . 10.0 112.242 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 t -125.51 88.39 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 126.203 2.189 . . . . 10.0 111.314 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -86.15 141.33 29.45 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 113.36 -1.745 . . . . 10.0 110.408 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -156.23 66.15 0.57 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 126.181 2.175 . . . . 10.0 113.084 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 98.63 0.03 OUTLIER Glycine 0 C--O 1.213 -1.168 0 CA-C-N 110.943 -2.844 . . . . 10.0 109.17 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 72.85 -58.78 0.59 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 127.607 2.592 . . . . 10.0 110.686 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -59.57 139.73 56.91 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.668 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.9 ttm -152.9 89.81 1.41 Allowed 'General case' 0 CA--C 1.506 -0.713 1 O-C-N 129.107 4.004 . . . . 10.0 111.479 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 52' ' ' ARG . 3.1 mt -84.6 126.19 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 112.093 -2.321 . . . . 10.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 51' ' ' ILE . 3.3 mt -110.28 89.4 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 127.663 3.102 . . . . 10.0 109.136 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HG3' HG22 ' A' ' 50' ' ' ILE . 7.9 mtm180 -85.65 126.95 34.32 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 127.837 3.21 . . . . 10.0 114.898 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.512 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 m -114.07 96.26 5.72 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-O 125.471 2.557 . . . . 10.0 111.463 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -77.48 115.67 17.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.165 -3.198 . . . . 10.0 114.611 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 p -158.91 132.38 7.36 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 111.874 -2.421 . . . . 10.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 p -47.99 -31.5 5.41 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 112.407 -2.178 . . . . 10.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -64.99 -57.61 8.27 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 128.103 3.377 . . . . 10.0 113.983 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -157.45 129.53 7.16 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 123.118 1.437 . . . . 10.0 111.425 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -81.01 103.51 10.88 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.531 -1.668 . . . . 10.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.512 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 46.9 t80 -102.52 108.39 19.68 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 125.711 1.882 . . . . 10.0 113.352 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.44 126.07 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 112.147 -2.297 . . . . 10.0 111.678 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.51 120.49 5.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 112.742 -2.026 . . . . 10.0 112.62 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -64.41 159.39 21.4 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.394 2.309 . . . . 10.0 107.426 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -114.55 -47.5 2.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 127.047 2.717 . . . . 10.0 113.028 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 60.36 99.06 0.03 OUTLIER 'General case' 0 C--O 1.211 -0.968 0 O-C-N 125.795 1.934 . . . . 10.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.924 HG22 HG11 ' A' ' 86' ' ' VAL . 1.7 t -82.73 132.86 30.38 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 O-C-N 127.8 3.187 . . . . 10.0 110.539 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.15 -13.9 66.54 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 112.141 -2.3 . . . . 10.0 114.009 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 170.27 8.15 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 123.777 1.751 . . . . 10.0 109.918 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -81.67 118.49 22.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.015 -2.812 . . . . 10.0 107.7 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -99.5 148.18 24.52 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 112.592 -2.094 . . . . 10.0 115.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.83 77.77 1.14 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 112.984 -1.917 . . . . 10.0 112.684 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.65 139.2 13.01 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 126.087 2.117 . . . . 10.0 113.738 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -130.17 109.28 10.68 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 111.014 -2.812 . . . . 10.0 113.052 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.57 19.89 13.81 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 111.368 -2.651 . . . . 10.0 112.187 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.5 133.87 40.94 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.345 2.278 . . . . 10.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.487 ' C ' HD12 ' A' ' 77' ' ' ILE . . . 114.99 -22.49 12.39 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-O 125.954 2.974 . . . . 10.0 108.56 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.566 HG22 ' N ' ' A' ' 78' ' ' ASP . 1.5 mp -101.7 -68.68 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.713 -2.244 . . . . 10.0 109.464 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.566 ' N ' HG22 ' A' ' 77' ' ' ILE . 37.2 t70 -124.3 3.77 8.47 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 126.412 2.32 . . . . 10.0 112.709 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.31 64.44 1.36 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-O 123.283 1.516 . . . . 10.0 108.81 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.93 164.48 29.88 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 111.094 -2.776 . . . . 10.0 108.299 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.81 133.03 0.2 Allowed 'General case' 0 C--O 1.209 -1.029 0 O-C-N 125.047 1.467 . . . . 10.0 110.484 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.0 m -146.4 175.96 10.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 O-C-N 126.882 2.614 . . . . 10.0 110.679 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.8 mtm -80.87 155.62 26.47 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 111.139 -2.755 . . . . 10.0 108.111 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -154.6 160.82 41.7 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 110.914 -2.857 . . . . 10.0 113.479 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.3 131.02 8.97 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 124.2 1.953 . . . . 10.0 111.281 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.924 HG11 HG22 ' A' ' 66' ' ' VAL . 89.9 t -99.19 148.23 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-N 110.864 -2.88 . . . . 10.0 110.084 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.3 p -157.04 -177.6 6.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 113.536 -1.665 . . . . 10.0 113.123 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -118.83 137.54 53.34 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 110.704 -2.953 . . . . 10.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.5 39.71 2.44 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 111.794 -2.457 . . . . 10.0 111.238 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.8 -98.77 0.38 Allowed Glycine 0 C--O 1.219 -0.79 0 CA-C-O 125.089 2.494 . . . . 10.0 110.785 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.15 -51.68 2.84 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 110.973 -2.614 . . . . 10.0 108.797 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' CG ' ' HB2' ' A' ' 109' ' ' TRP . 0.2 OUTLIER -57.39 153.25 12.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 111.53 -2.577 . . . . 10.0 113.896 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 93' ' ' LEU . 7.5 tt -104.45 85.43 2.35 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 111.221 -2.718 . . . . 10.0 107.714 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.91 149.82 23.15 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 110.423 -3.081 . . . . 10.0 113.724 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.671 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -146.12 123.22 11.46 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 112.676 -2.057 . . . . 10.0 111.395 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.23 146.68 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 112.176 -2.284 . . . . 10.0 109.367 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -110.83 133.26 53.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -96.84 29.06 3.17 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 127.937 3.273 . . . . 10.0 115.374 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.25 -177.86 4.22 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 112.756 -2.02 . . . . 10.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.83 -10.31 24.94 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.644 1.688 . . . . 10.0 111.827 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -83.16 -168.18 1.98 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 110.832 -2.895 . . . . 10.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -132.9 119.34 20.05 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.521 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.61 -28.77 6.34 Favored Glycine 0 C--N 1.332 0.337 0 N-CA-C 109.87 -1.292 . . . . 10.0 109.87 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.41 135.58 21.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.088 1.423 . . . . 10.0 111.406 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.29 140.67 2.94 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-N 111.999 -2.364 . . . . 10.0 111.515 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.458 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -104.11 158.83 16.16 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 112.348 -1.926 . . . . 10.0 114.829 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -159.36 146.49 16.97 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.336 -2.665 . . . . 10.0 112.086 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -167.33 148.55 5.64 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.415 -1.266 . . . . 10.0 113.441 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.498 ' HB2' ' CG ' ' A' ' 92' ' ' LYS . 13.1 t-105 -162.88 136.17 5.85 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 110.368 -3.106 . . . . 10.0 109.114 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 47.9 mt -94.82 130.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 O-C-N 127.058 2.724 . . . . 10.0 114.804 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 98.14 5.62 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 111.375 -2.648 . . . . 10.0 109.174 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.01 -118.43 5.37 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 111.303 -2.68 . . . . 10.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -111.91 42.6 1.71 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 114.107 -1.047 . . . . 10.0 111.63 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -150.93 133.7 15.77 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.27 -1.332 . . . . 10.0 114.308 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.736 HD13 ' CE3' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -92.77 112.92 25.04 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 112.612 -2.085 . . . . 10.0 110.006 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -124.16 92.99 3.78 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 124.257 1.98 . . . . 10.0 114.479 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 118' ' ' GLU . 3.0 pp -90.81 173.62 7.9 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 122.747 1.26 . . . . 10.0 108.985 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 117' ' ' LEU . 28.5 mt-10 -140.86 92.1 2.47 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 110.854 -2.885 . . . . 10.0 111.923 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mtp -86.77 138.08 31.9 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 113.026 -1.897 . . . . 10.0 111.798 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 59.6 mtt180 -134.01 162.62 31.58 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 127.724 3.14 . . . . 10.0 110.282 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 165.4 133.7 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 125.529 1.768 . . . . 10.0 111.653 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.661 ' HB2' ' HB1' ' A' ' 22' ' ' ALA . 1.9 mm-40 55.37 36.25 26.7 Favored 'General case' 0 CA--C 1.5 -0.957 0 O-C-N 126.536 2.397 . . . . 10.0 114.41 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.02 20.04 78.71 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 114.922 -1.035 . . . . 10.0 111.529 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.63 136.13 54.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.999 1.646 . . . . 10.0 109.139 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 25.6 m -116.19 141.27 48.36 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 126.193 2.183 . . . . 10.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.1 149.06 29.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 125.602 1.814 . . . . 10.0 109.225 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 122.68 16.96 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 113.527 -1.67 . . . . 10.0 114.22 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.2 136.65 39.77 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 125.961 2.038 . . . . 10.0 108.46 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.42 94.72 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-O 125.854 2.74 . . . . 10.0 110.996 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.74 170.14 10.69 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 111.539 -2.573 . . . . 10.0 111.782 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -154.39 135.57 13.98 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.991 -1.459 . . . . 10.0 113.966 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -59.11 153.38 18.15 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 114.121 -1.399 . . . . 10.0 111.165 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 t -134.16 -52.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 CA-C-N 113.765 -1.561 . . . . 10.0 110.331 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.506 -0.721 0 CA-C-O 115.131 -2.366 . . . . 10.0 108.527 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.665 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo . . . . . 0 N--CA 1.502 1.975 0 N-CA-C 113.066 0.372 . . . . 10.0 113.066 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 t -70.83 124.51 27.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 O-C-N 128.916 3.885 . . . . 10.0 108.044 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.41 119.88 23.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.236 -1.347 . . . . 10.0 114.071 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -103.21 -5.29 23.29 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.302 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -61.18 153.09 26.9 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 125.136 2.398 . . . . 10.0 110.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 114.7 -173.67 14.95 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 112.456 -2.156 . . . . 10.0 110.06 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.451 ' CD1' ' HG2' ' A' ' 41' ' ' GLU . 8.0 m-85 -115.38 121.93 44.29 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 114.351 -0.925 . . . . 10.0 112.867 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.736 ' CD2' HD13 ' A' ' 115' ' ' LEU . 4.8 m0 -105.97 112.39 25.41 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 126.657 2.473 . . . . 10.0 111.719 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HB3' HG21 ' A' ' 133' ' ' VAL . 13.6 pttp -93.39 148.32 22.16 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttm -90.82 144.23 25.92 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 123.644 1.688 . . . . 10.0 113.752 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -108.03 -39.87 5.39 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 111.339 -2.664 . . . . 10.0 112.368 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -171.57 -179.0 2.42 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 112.912 -1.949 . . . . 10.0 111.184 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.46 147.43 19.01 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 112.681 -2.054 . . . . 10.0 110.322 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -117.87 138.24 52.25 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 113.225 -1.807 . . . . 10.0 112.979 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 61.03 34.05 19.42 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 123.317 1.532 . . . . 10.0 109.703 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.778 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 11.3 t80 -69.59 -41.04 76.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 113.723 -1.581 . . . . 10.0 111.853 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.87 -29.84 62.32 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.958 -0.565 . . . . 10.0 112.01 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.31 -30.07 60.24 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 125.419 1.699 . . . . 10.0 111.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CZ ' ' HE1' ' A' ' 119' ' ' MET . 0.5 OUTLIER -73.32 -30.61 63.48 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 110.753 -2.93 . . . . 10.0 112.833 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.6 -40.47 56.45 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 125.921 2.013 . . . . 10.0 111.683 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -21.55 63.92 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.383 2.302 . . . . 10.0 113.9 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.15 58.48 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.997 -2.365 . . . . 10.0 112.672 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -97.75 20.1 12.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 O-C-N 125.454 1.721 . . . . 10.0 114.184 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 57.76 43.35 22.07 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 113.392 -1.731 . . . . 10.0 114.158 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 29' ' ' LEU . 5.6 t -78.95 150.97 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 CA-C-N 111.052 -2.795 . . . . 10.0 113.72 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -67.96 151.16 47.54 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-O 123.655 1.693 . . . . 10.0 112.431 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -67.26 -21.86 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 114.915 1.45 . . . . 10.0 114.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.17 53.78 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 110.784 -2.916 . . . . 10.0 110.365 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -77.28 -22.68 51.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 111.89 -2.414 . . . . 10.0 109.995 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -30.26 42.43 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.067 2.729 . . . . 10.0 111.731 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -69.72 -38.42 76.89 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 110.544 -3.026 . . . . 10.0 113.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.62 HG23 ' CZ ' ' A' ' 57' ' ' PHE . 45.8 mt -77.08 -25.13 15.33 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 111.868 -2.424 . . . . 10.0 111.986 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -71.4 -31.06 66.83 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 125.344 2.497 . . . . 10.0 113.569 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.32 -26.71 61.16 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 111.025 -2.807 . . . . 10.0 113.21 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -104.33 14.44 30.22 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 110.421 -3.081 . . . . 10.0 112.158 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mt -98.79 128.18 44.94 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 114.169 -1.378 . . . . 10.0 112.407 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -143.28 64.53 14.12 Favored Pre-proline 0 N--CA 1.449 -0.522 0 CA-C-N 113.777 -1.556 . . . . 10.0 113.062 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -74.85 152.3 41.38 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-N 114.308 -0.997 . . . . 10.0 114.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.22 120.24 41.8 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 110.353 -3.112 . . . . 10.0 108.3 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -82.35 156.47 24.22 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 124.891 2.282 . . . . 10.0 110.671 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' HG2' ' CD1' ' A' ' 7' ' ' TYR . 70.5 mt-10 -140.06 103.76 4.69 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 110.272 -3.149 . . . . 10.0 110.618 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.503 HD12 ' CH2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -100.67 147.41 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 CA-C-N 110.621 -2.99 . . . . 10.0 110.792 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -150.03 90.97 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 O-C-N 128.614 3.696 . . . . 10.0 113.186 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -86.55 118.0 25.69 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 110.007 -3.269 . . . . 10.0 108.407 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -119.01 42.45 2.81 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.617 -1.174 . . . . 10.0 113.846 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.9 106.73 0.21 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 108.92 -1.672 . . . . 10.0 108.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 70.56 -66.13 0.3 Allowed 'General case' 0 C--N 1.343 0.316 0 O-C-N 125.523 1.367 . . . . 10.0 108.26 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.57 149.77 45.56 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 126.403 2.314 . . . . 10.0 109.201 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 ttp -153.53 153.02 31.61 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 127.512 3.007 . . . . 10.0 111.948 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 146.24 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 127.282 2.864 . . . . 10.0 109.829 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.468 HD13 ' O1 ' ' A' ' 135' ' ' RTL . 11.7 mt -137.2 100.58 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.668 1.187 . . . . 10.0 108.354 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -103.96 112.78 25.9 Favored 'General case' 0 C--O 1.208 -1.079 0 O-C-N 128.922 3.889 . . . . 10.0 114.58 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 m -98.8 108.91 21.72 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 124.111 1.91 . . . . 10.0 109.164 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.49 93.66 7.33 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 110.733 -2.939 . . . . 10.0 114.703 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.02 41.17 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 110.628 -2.987 . . . . 10.0 108.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -88.42 54.72 3.14 Favored 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 125.595 1.809 . . . . 10.0 112.876 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.62 ' CZ ' HG23 ' A' ' 32' ' ' ILE . 32.4 m-85 -143.85 -71.45 0.29 Allowed 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 127.406 2.941 . . . . 10.0 112.281 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 4.98 1.98 Allowed 'General case' 0 CA--C 1.494 -1.183 0 C-N-CA 116.998 -1.881 . . . . 10.0 115.645 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.3 172.74 0.13 Allowed 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 117.315 -1.754 . . . . 10.0 113.651 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 177.3 105.71 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.847 1.785 . . . . 10.0 112.305 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.93 138.99 53.14 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 CA-C-N 113.855 -1.52 . . . . 10.0 112.92 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 mtp -146.56 158.37 43.89 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.181 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.4 46.64 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 125.269 1.605 . . . . 10.0 107.962 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.29 93.86 4.34 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 115.589 1.7 . . . . 10.0 115.589 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.3 93.35 1.48 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 113.255 -1.793 . . . . 10.0 108.481 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.32 133.65 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 CA-C-N 114.616 -1.174 . . . . 10.0 113.804 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.39 -15.13 62.02 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 127.501 3.001 . . . . 10.0 113.982 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -106.67 154.0 21.58 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 125.352 1.266 . . . . 10.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.7 126.4 52.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.082 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -142.06 176.62 8.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.731 -1.122 . . . . 10.0 113.258 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.22 156.79 33.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 114.921 -1.036 . . . . 10.0 111.657 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' OE2' HD21 ' A' ' 74' ' ' LEU . 1.1 tp10 -136.43 100.95 4.51 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 125.799 1.937 . . . . 10.0 108.855 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.36 111.31 23.67 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 115.112 1.523 . . . . 10.0 115.112 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.439 HD21 ' OE2' ' A' ' 72' ' ' GLU . 23.0 mt -113.32 56.9 0.68 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.051 -1.886 . . . . 10.0 109.167 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.8 15.97 10.21 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 112.551 -2.113 . . . . 10.0 114.123 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.675 ' O ' HD13 ' A' ' 77' ' ' ILE . . . -131.32 12.33 5.5 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 113.66 -1.609 . . . . 10.0 110.781 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -132.51 -61.71 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.02 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.97 15.3 1.72 Allowed 'General case' 0 CA--C 1.502 -0.887 0 O-C-N 127.713 3.133 . . . . 10.0 113.647 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 37.16 87.97 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 O-C-N 125.876 1.985 . . . . 10.0 114.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -58.69 2.12 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.628 1.344 . . . . 10.0 114.628 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mttt 68.99 107.34 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 128.937 3.898 . . . . 10.0 108.468 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.8 -168.13 2.9 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 126.728 2.518 . . . . 10.0 112.556 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mmt -124.82 147.39 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 125.14 1.525 . . . . 10.0 107.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 96' ' ' VAL . 10.6 m -143.18 143.39 31.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 124.622 2.153 . . . . 10.0 113.557 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.1 m -141.22 132.67 26.84 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.011 -2.359 . . . . 10.0 110.059 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.1 t -100.92 115.47 42.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 127.853 3.221 . . . . 10.0 110.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.31 137.38 46.39 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 113.499 -1.682 . . . . 10.0 109.136 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 116.08 21.43 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 127.209 2.818 . . . . 10.0 108.159 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.8 -4.87 15.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 127.864 3.227 . . . . 10.0 111.8 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.41 138.32 3.92 Favored Glycine 0 C--O 1.218 -0.869 0 O-C-N 125.092 1.495 . . . . 10.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.89 -74.44 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 125.853 1.561 . . . . 10.0 111.472 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.16 146.63 24.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.386 2.929 . . . . 10.0 108.29 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.46 145.56 24.41 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 125.855 1.972 . . . . 10.0 111.966 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -123.42 122.09 37.4 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 126.313 2.258 . . . . 10.0 112.777 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.2 m -124.38 92.53 3.68 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 114.263 -1.335 . . . . 10.0 109.09 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 84' ' ' THR . 76.2 t -90.76 139.54 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 124.54 1.15 . . . . 10.0 111.026 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 104' ' ' ARG . 9.3 tt0 -115.53 109.26 17.55 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.343 -2.208 . . . . 10.0 108.849 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.19 108.49 16.47 Favored 'General case' 0 C--O 1.207 -1.154 0 CA-C-O 122.905 1.335 . . . . 10.0 114.211 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.42 -137.15 3.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 110.719 -2.946 . . . . 10.0 111.704 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.12 -43.09 3.61 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 113.457 -1.372 . . . . 10.0 114.232 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.0 169.98 15.81 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 125.889 1.993 . . . . 10.0 113.82 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -84.95 165.39 17.65 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 109.842 -3.345 . . . . 10.0 109.694 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.01 -98.05 2.11 Favored Glycine 0 C--O 1.213 -1.183 0 CA-C-N 111.315 -2.675 . . . . 10.0 109.717 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER 25.72 69.95 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.781 1 O-C-N 130.046 4.027 . . . . 10.0 111.994 -179.981 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.89 111.17 0.39 Allowed Glycine 0 C--N 1.351 1.371 0 CA-C-N 111.528 -2.578 . . . . 10.0 114.461 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.697 ' CE3' HD21 ' A' ' 117' ' ' LEU . 10.7 m0 -90.32 138.02 31.87 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 124.995 2.331 . . . . 10.0 112.968 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.93 115.0 22.9 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 112.193 -2.276 . . . . 10.0 112.069 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -89.02 152.27 21.79 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.932 -1.94 . . . . 10.0 110.978 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -161.42 96.53 1.07 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.513 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.06 152.13 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 113.376 -1.738 . . . . 10.0 109.993 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -160.2 97.43 1.25 Allowed 'General case' 0 C--N 1.345 0.38 0 CA-C-N 114.037 -1.438 . . . . 10.0 112.398 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 58.39 -104.14 0.44 Allowed Glycine 0 C--O 1.207 -1.541 0 O-C-N 126.238 2.211 . . . . 10.0 113.329 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.08 42.97 3.07 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.307 1.527 . . . . 10.0 110.042 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -157.37 127.39 6.25 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 111.835 -2.439 . . . . 10.0 113.058 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.736 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -103.53 104.8 14.9 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 113.208 -1.814 . . . . 10.0 109.512 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -91.74 80.94 5.26 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.334 0.865 . . . . 10.0 113.334 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.697 HD21 ' CE3' ' A' ' 106' ' ' TRP . 1.1 tp -81.51 141.21 34.03 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-O 125.763 2.696 . . . . 10.0 113.648 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -106.98 109.58 21.51 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 109.753 -3.385 . . . . 10.0 108.292 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.53 ' HG3' ' CZ2' ' A' ' 106' ' ' TRP . 0.8 OUTLIER -107.43 119.68 40.09 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 125.575 1.797 . . . . 10.0 115.112 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -115.89 142.52 46.67 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.775 -1.557 . . . . 10.0 109.899 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -167.59 105.9 0.53 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.491 -1.231 . . . . 10.0 112.672 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.48 36.67 2.17 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 110.234 -3.166 . . . . 10.0 114.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.58 -1.12 89.19 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 112.716 -2.038 . . . . 10.0 111.615 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.65 123.13 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 C-N-CA 118.87 -1.132 . . . . 10.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 74.3 m -91.84 122.07 34.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.691 2.495 . . . . 10.0 112.818 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 130.25 41.3 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 127.638 3.086 . . . . 10.0 109.306 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -119.68 114.73 22.63 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 123.717 1.722 . . . . 10.0 114.109 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -93.64 140.29 29.8 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 113.936 -1.484 . . . . 10.0 108.589 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.42 114.08 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 CA-C-N 113.514 -1.676 . . . . 10.0 114.648 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.45 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 10.0 m-30 -101.21 175.52 5.56 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.62 -0.832 . . . . 10.0 112.123 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.464 ' HB2' HD12 ' A' ' 11' ' ' LEU . 10.4 tptm -154.33 109.62 3.13 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 122.984 1.374 . . . . 10.0 108.814 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -55.25 108.42 0.41 Allowed 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.418 -1.719 . . . . 10.0 113.474 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 9' ' ' LYS . 23.6 t -81.59 -24.75 9.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 126.802 2.564 . . . . 10.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 113.541 -3.123 . . . . 10.0 111.944 179.85 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.558 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 N--CA 1.499 1.812 0 N-CA-C 108.628 -1.335 . . . . 10.0 108.628 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.483 ' CG2' ' CZ2' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -31.73 104.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.493 1 O-C-N 130.21 4.694 . . . . 10.0 113.767 -179.935 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.03 107.65 12.99 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-O 126.645 3.117 . . . . 10.0 113.059 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 93' ' ' LEU . 1.5 m-85 -99.97 -7.75 24.77 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.839 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.39 142.42 55.43 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 125.449 1.718 . . . . 10.0 110.466 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.75 -158.13 27.58 Favored Glycine 0 CA--C 1.497 -1.033 0 CA-C-N 111.288 -2.687 . . . . 10.0 113.015 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 41' ' ' GLU . 3.1 m-85 -130.34 99.36 5.0 Favored 'General case' 0 CA--C 1.496 -1.135 0 O-C-N 127.02 2.247 . . . . 10.0 113.094 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.762 ' CD2' HD13 ' A' ' 115' ' ' LEU . 1.1 m0 -98.0 135.82 39.16 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 123.814 1.768 . . . . 10.0 110.074 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.99 157.27 38.26 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 110.831 -2.895 . . . . 10.0 108.822 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -55.11 179.99 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 127.608 3.068 . . . . 10.0 114.047 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -162.37 -51.98 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.276 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -164.15 165.84 21.77 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 125.603 1.814 . . . . 10.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.34 117.33 27.5 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 111.51 -2.586 . . . . 10.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.74 129.01 54.3 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.694 -1.593 . . . . 10.0 112.492 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 47.3 37.75 6.29 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 125.476 1.735 . . . . 10.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.616 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 29.6 t80 -78.86 -21.35 47.66 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-N 113.649 -1.614 . . . . 10.0 111.658 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.67 -45.85 28.02 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 114.115 1.154 . . . . 10.0 114.115 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -21.87 64.38 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.048 2.832 . . . . 10.0 113.849 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 80.1 t80 -75.78 -30.23 59.04 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 111.832 -2.44 . . . . 10.0 114.412 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' HG11 ' A' ' 25' ' ' VAL . 42.5 mt -74.05 -28.75 61.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 128.972 3.92 . . . . 10.0 113.022 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -72.99 -22.37 60.69 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 110.423 -3.08 . . . . 10.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.5 67.49 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.127 1.517 . . . . 10.0 114.359 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.69 12.73 34.4 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 112.491 -2.14 . . . . 10.0 114.459 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 49.38 30.96 3.55 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 124.089 1.9 . . . . 10.0 114.487 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.425 HG11 ' HB3' ' A' ' 20' ' ' LEU . 1.2 p -62.42 147.33 11.69 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 CA-C-N 111.998 -2.364 . . . . 10.0 110.652 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.54 149.07 14.35 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.025 2.703 . . . . 10.0 111.41 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.77 -26.05 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 111.315 -2.675 . . . . 10.0 114.142 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.02 -41.58 61.61 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 125.457 2.551 . . . . 10.0 112.475 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.3 tp -71.51 -29.59 64.96 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 112.323 -2.217 . . . . 10.0 112.823 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -74.37 -24.37 59.13 Favored 'General case' 0 CA--C 1.514 -0.422 0 O-C-N 126.35 2.281 . . . . 10.0 110.273 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -78.21 -39.83 39.31 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 110.793 -2.912 . . . . 10.0 109.43 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.561 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mt -74.51 -36.59 42.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 126.971 2.669 . . . . 10.0 112.978 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -69.15 -21.65 63.99 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.367 1.247 . . . . 10.0 114.367 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.84 -29.49 64.46 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 127.454 2.971 . . . . 10.0 109.836 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.6 mt -89.6 -24.77 21.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD12 ' HD3' ' A' ' 38' ' ' PRO . 4.0 pp -96.66 166.42 11.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 126.572 2.42 . . . . 10.0 114.983 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -150.92 102.11 3.03 Favored Pre-proline 0 C--O 1.214 -0.802 0 O-C-N 128.611 3.694 . . . . 10.0 107.684 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HD3' HD12 ' A' ' 36' ' ' LEU . 9.2 Cg_endo -77.05 147.8 26.97 Favored 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-O 126.746 2.728 . . . . 10.0 115.539 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -108.23 128.55 54.82 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 110.13 -3.214 . . . . 10.0 109.019 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HB3' HD11 ' A' ' 42' ' ' ILE . 7.3 mttt -107.26 144.42 34.09 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 7' ' ' TYR . 8.9 mt-10 -125.22 101.71 7.12 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 112.264 -2.244 . . . . 10.0 108.496 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.524 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 4.6 mp -106.71 142.86 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.867 0 CA-C-O 124.588 2.137 . . . . 10.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.31 139.38 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 CA-C-N 109.963 -3.29 . . . . 10.0 111.388 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -128.88 102.09 6.38 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.871 -2.877 . . . . 10.0 108.816 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -88.44 -33.16 17.95 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 114.335 -1.302 . . . . 10.0 111.363 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.49 -92.91 0.09 OUTLIER Glycine 0 C--O 1.211 -1.288 0 O-C-N 127.052 2.72 . . . . 10.0 113.033 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.72 -45.79 27.98 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.855 -2.672 . . . . 10.0 110.723 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -89.3 164.04 15.09 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.836 -2.438 . . . . 10.0 112.825 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.7 ttm -156.08 102.59 2.15 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.104 -1.407 . . . . 10.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 50' ' ' ILE . 21.7 mt -87.22 136.14 23.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 125.746 1.904 . . . . 10.0 110.098 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mt -114.81 128.9 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 128.39 3.556 . . . . 10.0 110.291 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -117.7 123.53 46.3 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 111.214 -2.721 . . . . 10.0 110.144 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -119.77 118.38 30.69 Favored 'General case' 0 CA--C 1.494 -1.203 0 O-C-N 128.441 3.588 . . . . 10.0 108.897 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.29 90.9 3.5 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.191 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.0 p -103.17 0.59 31.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 124.412 2.054 . . . . 10.0 109.783 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 57' ' ' PHE . 0.8 OUTLIER 72.48 -61.58 0.49 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 111.827 -2.442 . . . . 10.0 110.106 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.612 ' N ' HG22 ' A' ' 56' ' ' THR . 0.5 OUTLIER -49.57 -46.61 49.14 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 123.988 1.851 . . . . 10.0 110.82 179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.01 107.48 2.08 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 113.381 -1.736 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -83.14 140.86 32.36 Favored 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 126.097 2.123 . . . . 10.0 109.829 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.446 ' C ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -116.8 115.8 26.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 113.576 -1.647 . . . . 10.0 110.4 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 61' ' ' ILE . 4.2 mp -129.66 118.91 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.818 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 mtt -137.25 157.92 45.56 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 110.47 -3.059 . . . . 10.0 108.337 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -112.13 95.14 5.29 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 125.801 2.715 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.9 150.34 46.86 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 110.691 -2.959 . . . . 10.0 111.547 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' A' ' 68' ' ' LYS . 31.5 mt-30 -137.74 109.02 6.85 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 112.189 -2.278 . . . . 10.0 111.011 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.82 122.48 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 O-C-N 127.727 3.142 . . . . 10.0 113.371 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.77 -2.85 87.75 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 112.927 -1.942 . . . . 10.0 114.473 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 65' ' ' GLN . 1.2 ttmt -114.31 147.58 38.86 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.259 1.028 . . . . 10.0 111.347 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.87 141.73 28.1 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 112.972 -1.922 . . . . 10.0 113.759 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 20.9 p90 -161.35 163.7 30.54 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 126.775 2.547 . . . . 10.0 110.556 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.78 158.79 35.47 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.281 1.613 . . . . 10.0 112.811 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.62 96.3 3.13 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 111.306 -2.679 . . . . 10.0 111.95 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.81 107.9 19.57 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 110.813 -2.903 . . . . 10.0 112.602 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASP . 16.5 mt -102.94 62.05 0.8 Allowed 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 109.893 -3.321 . . . . 10.0 112.305 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -104.33 24.74 11.09 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 125.317 2.484 . . . . 10.0 112.714 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.16 17.63 5.36 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 109.886 -3.324 . . . . 10.0 109.757 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 77' ' ' ILE . 33.1 mt -151.06 -60.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 112.92 -1.64 . . . . 10.0 114.336 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -131.74 -1.37 3.81 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 115.836 1.791 . . . . 10.0 115.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' LEU . 18.3 m-20 51.59 95.24 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 124.167 1.937 . . . . 10.0 114.711 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.08 128.08 0.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 110.642 -2.981 . . . . 10.0 112.126 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -90.83 135.6 33.62 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 125.401 1.688 . . . . 10.0 112.379 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.6 m -147.21 171.55 15.2 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 112.83 -1.986 . . . . 10.0 111.843 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 mtp -115.46 151.62 34.44 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.81 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 m -132.56 147.22 52.35 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.32 127.14 23.77 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 124.502 1.121 . . . . 10.0 109.709 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.1 t -103.02 136.43 35.65 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 125.541 2.591 . . . . 10.0 109.87 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.81 147.25 33.84 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 111.018 -2.81 . . . . 10.0 112.191 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.483 ' CZ2' ' CG2' ' A' ' 2' ' ' VAL . 37.7 m0 -95.83 153.57 17.68 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 113.932 -1.485 . . . . 10.0 109.732 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -123.57 -57.53 1.64 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 113.752 -1.567 . . . . 10.0 112.671 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.53 83.63 0.1 Allowed Glycine 0 C--O 1.21 -1.405 0 O-C-N 126.571 2.42 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 52.96 32.71 13.16 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.356 -2.422 . . . . 10.0 111.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -142.17 122.95 14.32 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 127.624 3.078 . . . . 10.0 108.688 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 93' ' ' LEU . 9.4 tt -88.95 107.69 19.16 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 126.531 2.394 . . . . 10.0 110.223 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.89 165.5 11.15 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 125.827 1.954 . . . . 10.0 110.435 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.8 t -137.2 104.66 5.47 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 125.597 1.811 . . . . 10.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 96' ' ' VAL . 24.6 t -99.99 100.86 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 109.823 -3.353 . . . . 10.0 113.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -103.29 114.55 28.93 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 111.202 -2.726 . . . . 10.0 107.986 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -64.21 -64.46 0.88 Allowed 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.131 1.52 . . . . 10.0 112.422 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 44.42 -142.65 2.87 Favored Glycine 0 N--CA 1.471 1.026 0 O-C-N 124.89 1.369 . . . . 10.0 112.814 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -113.56 148.43 36.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 113.437 -1.382 . . . . 10.0 112.93 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt 68.92 179.11 0.24 Allowed 'General case' 0 C--O 1.217 -0.608 0 O-C-N 128.09 3.368 . . . . 10.0 109.57 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.76 163.87 12.63 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 126.692 2.495 . . . . 10.0 109.643 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.01 -40.88 2.27 Favored Glycine 0 C--N 1.346 1.098 0 O-C-N 125.526 1.766 . . . . 10.0 112.644 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -39.89 130.33 2.02 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.096 1.704 . . . . 10.0 112.213 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.93 141.97 6.19 Favored Glycine 0 CA--C 1.497 -1.054 0 O-C-N 126.672 2.483 . . . . 10.0 112.22 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -117.32 -177.65 3.27 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 126.888 3.232 . . . . 10.0 114.135 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.61 146.61 19.66 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 110.605 -2.998 . . . . 10.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 162.26 32.51 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.89 -2.868 . . . . 10.0 110.069 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -170.06 119.69 0.61 Allowed 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 112.992 -1.913 . . . . 10.0 110.376 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 79.9 mt -87.64 109.02 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.67 -1.15 . . . . 10.0 113.477 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.39 118.29 26.37 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 127.862 3.226 . . . . 10.0 114.308 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 56.64 -100.93 0.12 Allowed Glycine 0 C--N 1.345 1.063 0 CA-C-N 111.695 -2.502 . . . . 10.0 111.202 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.94 31.11 4.23 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-O 124.085 1.897 . . . . 10.0 112.234 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -125.31 165.0 19.13 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.02 -2.354 . . . . 10.0 109.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.762 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.31 75.9 1.46 Allowed 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 128.351 3.532 . . . . 10.0 109.227 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -69.33 115.98 9.23 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.105 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.69 123.34 48.07 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 111.161 -2.745 . . . . 10.0 108.193 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.44 100.72 8.99 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 127.757 3.161 . . . . 10.0 111.521 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 25.4 mtp -90.37 138.25 31.7 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 127.341 2.901 . . . . 10.0 110.342 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 mtp-105 -129.18 140.99 51.29 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 126.49 2.369 . . . . 10.0 109.152 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -176.27 121.9 0.16 Allowed 'General case' 0 C--O 1.215 -0.724 0 O-C-N 125.352 1.657 . . . . 10.0 112.815 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.59 25.66 13.18 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 111.313 -2.676 . . . . 10.0 112.125 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.69 9.21 87.06 Favored Glycine 0 CA--C 1.499 -0.908 0 CA-C-N 113.532 -1.667 . . . . 10.0 112.693 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.28 139.74 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 112.796 -1.702 . . . . 10.0 108.467 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 m -110.48 127.61 55.23 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 125.412 1.695 . . . . 10.0 115.03 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 36.5 t -136.26 125.05 23.94 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.027 -2.806 . . . . 10.0 109.004 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -117.29 83.83 2.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.168 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -69.5 136.57 51.62 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 118.335 -1.346 . . . . 10.0 107.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.91 149.37 12.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 CA-C-O 126.498 3.047 . . . . 10.0 113.815 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -149.83 133.52 16.78 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 109.925 -3.307 . . . . 10.0 111.368 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 2.3 tptm -112.5 104.75 12.86 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.524 1.765 . . . . 10.0 114.969 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 131.51 50.22 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.28 -1.327 . . . . 10.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.57 -41.76 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 N-CA-C 114.99 1.478 . . . . 10.0 114.99 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 . . . . . 0 C--O 1.259 1.589 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.213 -179.771 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.655 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo . . . . . 0 N--CA 1.494 1.547 0 N-CA-C 109.619 -0.954 . . . . 10.0 109.619 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 t -144.74 23.89 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.145 0 O-C-N 127.874 3.234 . . . . 10.0 112.077 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.97 104.27 0.03 OUTLIER 'General case' 0 C--O 1.21 -0.999 1 O-C-N 130.708 5.005 . . . . 10.0 113.338 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.73 -11.95 52.35 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 112.585 -2.098 . . . . 10.0 111.378 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -63.52 114.3 3.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 113.458 -1.701 . . . . 10.0 109.618 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.57 -156.27 26.49 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 111.348 -2.66 . . . . 10.0 111.522 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -124.35 100.55 6.74 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 111.539 -2.33 . . . . 10.0 108.673 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CZ3' HD12 ' A' ' 115' ' ' LEU . 7.1 m95 -104.53 121.66 43.94 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 119.922 -0.711 . . . . 10.0 111.661 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -95.2 173.35 7.6 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.826 -1.988 . . . . 10.0 108.753 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mtm -125.57 124.53 41.47 Favored 'General case' 0 C--O 1.211 -0.937 1 O-C-N 130.049 4.593 . . . . 10.0 108.2 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.6 mm? -110.02 -40.34 4.77 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.205 2.907 . . . . 10.0 115.398 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.0 p -135.88 170.02 16.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 109.473 -3.512 . . . . 10.0 114.821 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.51 176.24 8.14 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 110.91 -2.859 . . . . 10.0 108.438 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -147.92 -53.48 0.2 Allowed 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.933 2.646 . . . . 10.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -134.58 35.14 3.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 128.34 3.525 . . . . 10.0 114.511 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 12.7 t80 -68.33 -25.2 64.99 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 125.704 2.668 . . . . 10.0 114.349 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.81 -35.94 62.46 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.572 -2.104 . . . . 10.0 109.307 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -25.03 44.56 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-O 123.972 1.844 . . . . 10.0 113.519 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.45 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 66.4 t80 -73.02 -24.74 60.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.738 -2.483 . . . . 10.0 113.874 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.655 HD21 H182 ' A' ' 135' ' ' RTL . 74.7 mt -79.58 -33.34 41.78 Favored 'General case' 0 CA--C 1.493 -1.223 0 CA-C-O 124.181 1.944 . . . . 10.0 112.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -25.38 62.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 123.857 1.789 . . . . 10.0 110.266 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.19 62.66 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.23 6.69 17.54 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 124.682 1.239 . . . . 10.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.97 84.31 0.11 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 125.061 2.362 . . . . 10.0 112.16 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 20' ' ' LEU . 35.8 t -116.65 144.5 24.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 113.379 -1.737 . . . . 10.0 109.646 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' O ' HG12 ' A' ' 25' ' ' VAL . 35.9 m120 -61.99 154.9 25.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.93 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.2 -25.61 34.3 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-O 124.303 2.001 . . . . 10.0 114.733 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -76.77 -31.31 56.96 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.012 -2.358 . . . . 10.0 114.129 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.05 -23.32 44.32 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 111.144 -2.753 . . . . 10.0 112.005 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -76.98 -24.06 52.28 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -34.49 59.21 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 124.605 1.19 . . . . 10.0 110.812 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.2 mt -78.01 -27.09 14.77 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 CA-C-O 124.189 1.947 . . . . 10.0 112.152 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -76.33 -24.29 54.28 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 111.522 -2.581 . . . . 10.0 112.11 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -80.04 -32.46 39.46 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.002 2.81 . . . . 10.0 108.928 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 mt -81.79 -0.33 42.72 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 111.379 -2.646 . . . . 10.0 111.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.1 mt -104.63 130.36 52.65 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 123.403 1.573 . . . . 10.0 113.287 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -152.72 63.25 4.79 Favored Pre-proline 0 C--O 1.208 -1.089 0 CA-C-N 113.131 -1.849 . . . . 10.0 109.518 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 172.63 13.94 Favored 'Trans proline' 0 CA--C 1.498 -1.317 0 C-N-CA 122.572 2.181 . . . . 10.0 111.393 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.6 132.0 54.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 111.314 -2.675 . . . . 10.0 109.413 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -87.97 128.71 35.38 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 111.436 -2.62 . . . . 10.0 111.428 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -110.56 99.97 8.85 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 42' ' ' ILE . 7.2 mm -88.91 137.03 22.02 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-O 121.893 0.854 . . . . 10.0 112.558 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -137.56 73.89 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 111.782 -2.463 . . . . 10.0 111.414 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.83 146.04 33.91 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 125.841 2.734 . . . . 10.0 113.413 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -151.98 75.79 1.16 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-N 110.552 -3.022 . . . . 10.0 111.683 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.96 -91.59 0.01 OUTLIER Glycine 0 C--O 1.211 -1.32 0 CA-C-N 112.626 -2.079 . . . . 10.0 114.104 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.06 49.78 0.81 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.116 -0.542 . . . . 10.0 110.579 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.762 ' CE1' HD11 ' A' ' 50' ' ' ILE . 17.4 t-160 -175.42 111.11 0.12 Allowed 'General case' 0 C--N 1.349 0.573 0 O-C-N 128.017 3.323 . . . . 10.0 111.162 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.5 mtp -130.88 90.79 2.95 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.873 1.358 . . . . 10.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.762 HD11 ' CE1' ' A' ' 48' ' ' HIS . 57.5 mt -81.74 122.22 36.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 126.216 2.197 . . . . 10.0 113.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 64' ' ' PHE . 3.0 mt -108.68 123.95 64.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.112 0 CA-C-N 113.348 -1.751 . . . . 10.0 111.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -118.29 144.88 45.48 Favored 'General case' 0 C--O 1.212 -0.868 0 CA-C-N 111.753 -2.476 . . . . 10.0 112.681 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -123.0 98.58 5.96 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 109.708 -3.406 . . . . 10.0 110.436 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -89.71 88.77 7.51 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 113.824 -1.534 . . . . 10.0 112.448 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 p -97.77 -43.01 7.33 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 127.603 3.064 . . . . 10.0 112.278 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 93.87 9.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.703 1 O-C-N 129.551 4.282 . . . . 10.0 111.636 179.907 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -59.38 2.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 109.8 -3.364 . . . . 10.0 109.701 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -156.2 49.38 0.5 Allowed 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.344 -3.116 . . . . 10.0 111.013 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -10.57 107.24 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.669 1 O-C-N 129.7 4.375 . . . . 10.0 115.044 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.38 111.43 23.78 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 113.112 -1.858 . . . . 10.0 114.835 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.75 126.41 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 113.488 -1.687 . . . . 10.0 109.788 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.4 mtp -125.82 123.66 39.2 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.368 3.542 . . . . 10.0 114.59 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -92.53 71.51 5.07 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 126.563 2.415 . . . . 10.0 108.683 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -72.8 88.52 1.32 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 124.245 1.974 . . . . 10.0 113.854 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 44.4 mt-30 -90.14 116.78 28.41 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 113.052 -1.886 . . . . 10.0 109.119 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 124.09 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.71 0 CA-C-N 114.22 -1.355 . . . . 10.0 113.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 5.34 73.86 Favored Glycine 0 C--N 1.339 0.733 0 O-C-N 126.219 2.199 . . . . 10.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -112.6 141.57 46.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 112.338 -1.931 . . . . 10.0 111.259 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.24 137.37 48.07 Favored 'General case' 0 C--O 1.209 -1.049 0 O-C-N 126.697 2.498 . . . . 10.0 112.854 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 38.0 p90 -156.96 177.38 11.57 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 110.31 -3.132 . . . . 10.0 114.029 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.82 150.39 29.21 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 125.762 2.696 . . . . 10.0 114.244 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -114.63 146.79 40.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 111.319 -2.673 . . . . 10.0 109.666 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.47 106.32 10.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 110.415 -3.084 . . . . 10.0 111.648 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 77' ' ' ILE . 1.4 mp -97.04 37.23 1.33 Allowed 'General case' 0 C--O 1.21 -1.022 0 O-C-N 126.232 2.208 . . . . 10.0 110.45 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -0.14 19.6 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.943 -1.026 . . . . 10.0 113.634 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.64 19.8 6.99 Favored Glycine 0 C--O 1.219 -0.788 0 N-CA-C 108.66 -1.776 . . . . 10.0 108.66 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.781 HG23 H183 ' A' ' 135' ' ' RTL . 11.3 mt -134.75 -60.84 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-O 123.434 1.587 . . . . 10.0 109.337 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.81 20.72 0.32 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.954 -1.93 . . . . 10.0 114.106 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 37.92 81.47 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 125.414 1.696 . . . . 10.0 114.214 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.479 ' HD2' ' CE ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -116.04 -60.46 1.86 Allowed 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 126.966 2.666 . . . . 10.0 113.969 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.99 107.22 0.07 Allowed 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 128.259 3.474 . . . . 10.0 110.481 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.456 ' HB3' ' HA3' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -133.37 -171.54 2.73 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 111.209 -2.723 . . . . 10.0 112.787 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 10.0 mtt -104.71 177.63 4.79 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.735 -2.938 . . . . 10.0 107.651 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.493 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -162.92 139.31 7.32 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 127.92 3.262 . . . . 10.0 113.678 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.68 148.97 30.68 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 109.783 -3.371 . . . . 10.0 109.441 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 64' ' ' PHE . 2.8 t -135.23 137.7 49.77 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 112.09 -2.323 . . . . 10.0 111.559 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -132.53 173.01 11.77 Favored 'General case' 0 C--O 1.217 -0.653 1 O-C-N 129.919 4.512 . . . . 10.0 110.009 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -130.03 120.82 25.32 Favored 'General case' 0 CA--C 1.506 -0.719 0 O-C-N 126.496 2.373 . . . . 10.0 112.573 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -119.85 94.99 4.58 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.246 -1.797 . . . . 10.0 113.983 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.75 -128.69 8.77 Favored Glycine 0 CA--C 1.5 -0.849 0 O-C-N 126.39 2.306 . . . . 10.0 111.102 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.64 28.52 5.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.252 -2.474 . . . . 10.0 110.083 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -131.4 167.3 19.53 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.609 -1.632 . . . . 10.0 109.464 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 108' ' ' GLN . 2.3 tp -132.07 128.9 39.2 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.307 -1.315 . . . . 10.0 111.384 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.83 140.29 34.62 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 126.493 2.371 . . . . 10.0 107.85 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 168.65 12.54 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 110.996 -2.82 . . . . 10.0 111.791 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.44 144.82 22.04 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 113.032 -1.895 . . . . 10.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -145.93 83.54 1.64 Allowed 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.599 -3.0 . . . . 10.0 109.91 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 113.12 21.69 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 125.029 2.347 . . . . 10.0 113.318 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' A' ' 82' ' ' CYS . . . -138.64 61.57 0.57 Allowed Glycine 0 C--O 1.211 -1.341 0 N-CA-C 107.913 -2.075 . . . . 10.0 107.913 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.28 83.71 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 124.071 1.891 . . . . 10.0 113.481 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' CE ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -166.34 171.2 12.31 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.964 -2.38 . . . . 10.0 111.479 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -106.82 129.48 54.66 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 128.008 3.317 . . . . 10.0 112.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 44.24 77.25 0.1 OUTLIER Glycine 0 C--O 1.208 -1.507 0 CA-C-O 126.017 3.01 . . . . 10.0 113.973 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -177.28 3.47 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 109.059 -3.57 . . . . 10.0 108.657 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.71 146.01 11.69 Favored Glycine 0 N--CA 1.472 1.096 0 CA-C-N 112.307 -2.224 . . . . 10.0 111.846 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -101.82 158.77 15.88 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 112.696 -1.752 . . . . 10.0 109.937 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.566 HG23 ' N ' ' A' ' 108' ' ' GLN . 0.4 OUTLIER -146.8 169.88 18.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.236 2.21 . . . . 10.0 108.842 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.613 ' HB2' HD23 ' A' ' 93' ' ' LEU . 2.3 mt-30 -149.82 149.7 30.9 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 126.355 2.285 . . . . 10.0 109.983 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -158.55 139.9 13.32 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 113.291 -1.777 . . . . 10.0 111.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.5 127.11 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 125.878 1.986 . . . . 10.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -98.75 -44.28 6.46 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.325 1.536 . . . . 10.0 114.159 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 155.23 100.75 0.18 Allowed Glycine 0 C--O 1.21 -1.388 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.921 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.43 28.98 14.46 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 112.532 -1.834 . . . . 10.0 110.397 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.84 93.88 0.15 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 125.477 2.561 . . . . 10.0 108.885 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.532 HD12 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -66.23 161.85 21.26 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 111.45 -2.614 . . . . 10.0 110.56 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -152.1 143.33 23.27 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 109.69 -3.414 . . . . 10.0 111.989 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 159.9 41.96 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 127.225 2.828 . . . . 10.0 113.073 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.4 121.69 37.26 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 112.108 -2.315 . . . . 10.0 109.101 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.5 mtp -107.64 116.49 32.05 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 111.795 -2.457 . . . . 10.0 112.002 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 61.9 mtt180 -127.24 167.32 16.26 Favored 'General case' 0 CA--C 1.498 -1.025 0 O-C-N 125.979 2.05 . . . . 10.0 111.764 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 162.09 128.47 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 127.02 2.7 . . . . 10.0 109.327 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.5 22.26 5.23 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 126.863 2.602 . . . . 10.0 113.413 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.03 10.97 85.99 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 126.164 2.165 . . . . 10.0 113.968 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.1 t -113.35 135.11 53.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.105 0 CA-C-N 113.208 -1.496 . . . . 10.0 109.409 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 126' ' ' CYS . 0.4 OUTLIER -111.47 166.71 10.9 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 125.744 1.902 . . . . 10.0 114.841 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.486 ' N ' HG23 ' A' ' 125' ' ' THR . 7.8 t -164.06 131.16 3.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 111.45 -2.613 . . . . 10.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -125.27 146.14 49.68 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 125.687 1.867 . . . . 10.0 114.234 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -133.7 135.56 44.12 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 128.649 3.718 . . . . 10.0 113.907 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 130' ' ' PHE . 9.0 t -99.8 154.42 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 126.378 2.299 . . . . 10.0 109.199 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.512 ' N ' HG12 ' A' ' 129' ' ' VAL . 2.9 m-85 -133.55 167.56 20.24 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 127.935 3.272 . . . . 10.0 112.965 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -143.53 115.18 8.15 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 127.249 2.843 . . . . 10.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 154.58 35.32 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.351 -1.749 . . . . 10.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.03 -54.34 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 127.846 3.216 . . . . 10.0 110.136 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.247 0.962 0 CA-C-N 111.503 -2.59 . . . . 10.0 114.214 -179.747 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.781 H183 HG23 ' A' ' 77' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo . . . . . 0 N--CA 1.511 2.538 0 N-CA-C 108.853 -1.249 . . . . 10.0 108.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG12 HD12 ' A' ' 110' ' ' ILE . 4.8 t -73.37 97.76 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 CA-C-N 113.916 -1.493 . . . . 10.0 112.648 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -53.14 146.47 11.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 124.77 2.224 . . . . 10.0 112.11 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -136.11 76.99 1.63 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 111.19 -2.732 . . . . 10.0 108.492 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -149.3 107.6 3.77 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 110.641 -2.981 . . . . 10.0 110.359 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 164.54 -166.62 37.98 Favored Glycine 0 C--O 1.221 -0.678 0 C-N-CA 118.828 -1.653 . . . . 10.0 113.402 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 4.0 m-85 -116.23 102.49 9.62 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.672 2.042 . . . . 10.0 112.881 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 4.1 m95 -107.93 123.66 48.96 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.523 -1.217 . . . . 10.0 111.47 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -114.29 154.75 27.43 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 128.166 3.416 . . . . 10.0 109.48 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.6 ttm -78.84 152.64 31.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 111.422 -2.626 . . . . 10.0 114.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt -130.28 -48.55 1.09 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 113.954 -1.476 . . . . 10.0 113.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.8 m -148.5 166.47 28.11 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 125.459 1.724 . . . . 10.0 113.367 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -116.11 -165.9 1.09 Allowed 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 109.794 -3.366 . . . . 10.0 107.812 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -162.3 -54.84 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 128.511 3.632 . . . . 10.0 112.949 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -141.32 25.24 2.07 Favored 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.387 2.929 . . . . 10.0 109.861 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.546 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 73.6 t80 -71.87 -25.48 61.96 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 112.882 -1.963 . . . . 10.0 112.585 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.04 -34.09 61.82 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.322 1.534 . . . . 10.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.39 -30.18 61.85 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 112.566 -2.106 . . . . 10.0 112.875 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 23' ' ' LEU . 2.1 t80 -70.14 -28.33 65.27 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 109.7 -3.409 . . . . 10.0 114.104 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.525 ' CD2' H182 ' A' ' 135' ' ' RTL . 41.5 mt -66.2 -21.5 66.31 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 126.316 2.96 . . . . 10.0 114.059 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -71.32 -42.52 68.51 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.42 -2.173 . . . . 10.0 113.452 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -23.91 46.4 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-O 125.521 2.582 . . . . 10.0 115.415 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 25' ' ' VAL . 56.5 mt -101.76 -1.47 32.35 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.272 -2.24 . . . . 10.0 112.058 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.16 21.98 11.09 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.882 -1.963 . . . . 10.0 111.534 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 23' ' ' LEU . 9.3 t -59.2 124.66 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 126.93 2.644 . . . . 10.0 107.503 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.86 140.94 0.1 Allowed 'General case' 0 C--O 1.221 -0.402 0 O-C-N 126.691 2.494 . . . . 10.0 112.261 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.23 -23.82 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.203 0 N-CA-C 115.134 1.531 . . . . 10.0 115.134 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.36 29.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 110.493 -3.049 . . . . 10.0 111.533 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -33.99 77.1 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 111.866 -2.425 . . . . 10.0 114.026 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -74.96 -27.41 60.16 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 112.603 -2.09 . . . . 10.0 109.635 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -37.87 67.53 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 126.103 2.858 . . . . 10.0 110.185 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.444 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -75.55 -29.12 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 111.37 -2.65 . . . . 10.0 109.931 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -62.2 -22.46 65.94 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 126.953 2.658 . . . . 10.0 113.956 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.13 -34.13 74.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 112.749 -2.023 . . . . 10.0 113.923 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.14 28.37 8.82 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 123.701 1.715 . . . . 10.0 111.231 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -119.6 109.5 15.76 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 109.855 -3.338 . . . . 10.0 109.843 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -140.39 85.35 13.47 Favored Pre-proline 0 CA--C 1.501 -0.923 0 CA-C-N 111.206 -2.725 . . . . 10.0 110.002 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -85.0 167.43 10.98 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 123.843 3.029 . . . . 10.0 109.064 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.85 143.27 45.39 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 110.094 -3.23 . . . . 10.0 108.78 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -101.92 145.31 29.42 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.513 1.149 . . . . 10.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -132.27 85.64 2.26 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 114.003 -1.453 . . . . 10.0 108.95 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.1 mt -82.83 137.28 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 CA-C-N 110.857 -2.883 . . . . 10.0 114.633 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -135.15 101.58 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 125.034 2.35 . . . . 10.0 109.684 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -92.87 136.64 33.07 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 112.009 -2.36 . . . . 10.0 110.133 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -144.35 46.76 1.4 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.636 -1.62 . . . . 10.0 114.053 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 131.31 -128.66 5.46 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-O 125.445 2.692 . . . . 10.0 112.239 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -19.07 54.39 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 112.881 -1.66 . . . . 10.0 111.248 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -101.63 165.7 11.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 128.322 3.514 . . . . 10.0 111.784 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 ttm -165.35 104.57 0.74 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 113.358 -1.746 . . . . 10.0 111.397 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.51 116.76 28.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 128.642 3.714 . . . . 10.0 110.574 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.544 HD12 ' HB2' ' A' ' 64' ' ' PHE . 4.2 mt -106.91 137.07 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 127.903 3.252 . . . . 10.0 109.573 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HB2' HG13 ' A' ' 61' ' ' ILE . 10.1 ptt180 -148.09 128.74 14.17 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 117.839 -1.544 . . . . 10.0 113.397 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.2 m -94.23 132.21 39.03 Favored 'General case' 0 CA--C 1.509 -0.628 1 O-C-N 129.294 4.121 . . . . 10.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.67 116.82 26.04 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 112.12 -2.309 . . . . 10.0 113.971 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.26 140.86 18.91 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.183 -1.826 . . . . 10.0 109.779 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -18.77 64.37 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.319 2.887 . . . . 10.0 109.254 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HB2' HD21 ' A' ' 36' ' ' LEU . 9.1 t80 -78.83 -33.24 46.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.513 0.673 . . . . 10.0 110.003 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -179.95 134.99 0.11 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 112.089 -2.323 . . . . 10.0 112.649 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -102.8 106.23 16.79 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.832 -2.44 . . . . 10.0 108.548 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -109.76 99.6 8.73 Favored 'General case' 0 CA--C 1.498 -1.032 0 O-C-N 126.782 2.551 . . . . 10.0 114.191 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 52' ' ' ARG . 2.9 mt -105.37 144.33 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.788 0 CA-C-N 111.473 -2.603 . . . . 10.0 110.97 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.8 mtm -151.1 166.84 29.56 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 125.739 2.685 . . . . 10.0 111.574 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.36 116.87 27.1 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.848 -2.887 . . . . 10.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -99.46 139.2 35.46 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 124.198 1.952 . . . . 10.0 110.56 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 1.7 mp0 -134.03 114.92 13.72 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 111.666 -2.515 . . . . 10.0 108.656 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.67 123.8 37.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 CA-C-O 123.549 1.643 . . . . 10.0 110.507 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.45 12.13 65.41 Favored Glycine 0 C--O 1.21 -1.373 0 CA-C-N 112.389 -2.187 . . . . 10.0 110.309 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -120.98 145.76 47.4 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 123.622 1.677 . . . . 10.0 111.262 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.42 125.42 53.85 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.944 -1.48 . . . . 10.0 110.186 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 8.1 p90 -160.56 169.44 22.94 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.262 0.976 . . . . 10.0 111.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.35 143.14 55.26 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 112.34 -2.209 . . . . 10.0 111.411 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.693 ' O ' HD12 ' A' ' 74' ' ' LEU . 7.7 tt0 -123.1 78.8 1.6 Allowed 'General case' 0 C--O 1.213 -0.821 0 O-C-N 127.254 2.846 . . . . 10.0 109.563 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.18 96.65 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 109.854 -3.339 . . . . 10.0 109.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -101.0 47.33 0.92 Allowed 'General case' 0 C--O 1.207 -1.183 0 CA-C-O 124.472 2.082 . . . . 10.0 108.132 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 m -83.41 0.51 45.78 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.95 1.77 33.65 Favored Glycine 0 C--O 1.208 -1.477 0 CA-C-O 123.13 1.405 . . . . 10.0 110.182 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.437 HG23 H183 ' A' ' 135' ' ' RTL . 2.9 mt -127.96 -74.08 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 113.042 -1.579 . . . . 10.0 113.322 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -137.16 28.14 2.84 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 117.074 -1.441 . . . . 10.0 111.671 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.6 p-10 28.97 70.26 0.07 Allowed 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 128.71 3.756 . . . . 10.0 112.185 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -130.53 36.79 3.9 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.836 -1.075 . . . . 10.0 113.093 -179.619 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 115.93 0.16 Allowed 'General case' 0 C--O 1.213 -0.866 0 O-C-N 128.915 3.885 . . . . 10.0 112.433 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 80' ' ' ARG . 1.6 m -148.42 -172.99 4.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 127.152 2.782 . . . . 10.0 111.826 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.4 mtm -88.92 141.04 28.83 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.749 1.388 . . . . 10.0 114.749 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.3 m -141.18 127.24 19.48 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.319 -2.673 . . . . 10.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -122.61 139.7 53.63 Favored 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 127.004 2.69 . . . . 10.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.703 HG22 ' HB2' ' A' ' 95' ' ' CYS . 87.4 t -111.89 146.07 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 113.793 -1.549 . . . . 10.0 112.434 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 t -123.4 160.82 25.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 112.842 -1.981 . . . . 10.0 109.791 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -120.61 77.18 1.25 Allowed 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 123.676 1.703 . . . . 10.0 109.201 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -33.78 76.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 112.471 -2.15 . . . . 10.0 114.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.89 126.73 2.64 Favored Glycine 0 C--O 1.213 -1.169 0 CA-C-N 111.608 -2.542 . . . . 10.0 110.308 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.22 -86.41 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 O-C-N 126.046 1.674 . . . . 10.0 107.668 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.49 129.03 40.0 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 125.901 2.001 . . . . 10.0 111.255 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -95.64 105.46 17.45 Favored 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 124.248 0.968 . . . . 10.0 109.482 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.54 143.66 40.57 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 123.383 1.563 . . . . 10.0 109.293 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.703 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -132.19 140.08 48.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 111.004 -2.816 . . . . 10.0 110.503 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.76 146.25 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.064 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.83 157.86 36.5 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.208 -2.269 . . . . 10.0 108.747 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -111.63 -71.47 0.76 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 125.151 1.532 . . . . 10.0 109.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.31 -144.44 19.65 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 119.405 -1.379 . . . . 10.0 111.899 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.58 16.27 4.4 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 128.264 2.979 . . . . 10.0 111.2 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -108.99 161.3 15.29 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-N 114.865 -1.061 . . . . 10.0 113.121 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -84.36 84.11 7.75 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.774 2.546 . . . . 10.0 114.279 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.02 -109.16 0.72 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-N 112.563 -2.108 . . . . 10.0 112.802 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 48.43 92.24 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.702 0 O-C-N 127.089 2.288 . . . . 10.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.2 90.43 0.09 OUTLIER Glycine 0 C--O 1.213 -1.183 0 O-C-N 127.245 2.841 . . . . 10.0 113.022 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.629 ' CH2' H203 ' A' ' 135' ' ' RTL . 21.0 m0 -64.85 167.49 7.51 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 111.811 -2.194 . . . . 10.0 114.105 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 60.6 m -158.78 122.14 3.81 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 128.732 3.77 . . . . 10.0 108.39 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.55 141.09 47.58 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.209 2.193 . . . . 10.0 111.699 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -162.23 109.28 1.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 124.447 2.07 . . . . 10.0 110.353 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.644 HD12 HG12 ' A' ' 2' ' ' VAL . 83.1 mt -69.93 138.1 22.74 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 112.643 -2.071 . . . . 10.0 111.838 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 63.24 1.34 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 125.528 1.767 . . . . 10.0 110.654 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.59 -132.28 11.2 Favored Glycine 0 C--O 1.219 -0.811 0 O-C-N 125.511 1.757 . . . . 10.0 111.75 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -78.54 -9.37 59.31 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 126.699 2.058 . . . . 10.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.496 ' OE2' HG13 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -119.28 132.13 55.86 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 125.122 1.514 . . . . 10.0 111.549 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.37 149.55 22.95 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 113.872 -1.513 . . . . 10.0 111.019 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.652 ' C ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -142.51 137.49 30.26 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 127.207 2.817 . . . . 10.0 112.588 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -145.11 147.64 32.75 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 112.511 -2.131 . . . . 10.0 111.395 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -108.82 77.33 1.07 Allowed 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 125.137 2.399 . . . . 10.0 111.481 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 18.8 mtm -68.52 146.9 52.71 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 111.904 -2.407 . . . . 10.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -144.79 155.67 43.63 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 111.401 -2.636 . . . . 10.0 112.201 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -179.13 122.24 0.08 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 123.055 1.407 . . . . 10.0 114.495 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 59.34 25.64 14.35 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 113.002 -1.908 . . . . 10.0 112.19 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.96 80.8 Favored Glycine 0 N--CA 1.474 1.187 0 CA-C-N 114.732 -1.122 . . . . 10.0 113.658 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.4 t -95.43 126.91 47.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 CA-C-O 124.237 1.97 . . . . 10.0 109.691 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 36.9 m -110.21 144.2 39.23 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 124.961 2.315 . . . . 10.0 109.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 133.74 22.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 109.608 -3.451 . . . . 10.0 110.634 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -109.17 86.65 2.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 126.765 2.54 . . . . 10.0 113.768 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 145.45 55.73 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 128.199 3.437 . . . . 10.0 108.811 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.496 HG13 ' OE2' ' A' ' 114' ' ' GLU . 94.4 t -123.12 129.05 75.23 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.914 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.258 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -127.44 172.15 10.93 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 124.876 1.36 . . . . 10.0 109.284 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -149.08 130.25 14.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 124.725 2.202 . . . . 10.0 113.26 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -68.63 116.0 8.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.314 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.38 -35.12 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-N 111.726 -2.488 . . . . 10.0 109.476 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 CA--C 1.513 -0.48 0 O-C-N 127.422 2.951 . . . . 10.0 113.625 179.716 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.629 H203 ' CH2' ' A' ' 106' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.511 2.505 0 CA-C-O 123.54 1.391 . . . . 10.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -80.18 -26.9 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 112.364 -2.198 . . . . 10.0 109.387 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 t70 58.19 99.67 0.02 OUTLIER 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 111.245 -2.707 . . . . 10.0 113.486 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -77.12 -22.28 52.92 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.263 1.982 . . . . 10.0 111.81 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.77 138.77 41.44 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 110.712 -2.949 . . . . 10.0 108.454 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.78 -176.96 18.96 Favored Glycine 0 C--O 1.217 -0.947 0 O-C-N 126.492 2.37 . . . . 10.0 108.942 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -113.55 126.21 55.05 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 119.018 -1.073 . . . . 10.0 113.195 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.674 ' CE3' HD13 ' A' ' 115' ' ' LEU . 0.8 OUTLIER -105.46 140.46 38.53 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 127.118 2.761 . . . . 10.0 110.008 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -136.62 134.88 37.83 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 125.503 2.573 . . . . 10.0 109.286 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mmm -61.27 152.07 30.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 110.329 -3.123 . . . . 10.0 114.584 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.008 HD12 HG12 ' A' ' 129' ' ' VAL . 86.0 mt -120.72 -52.76 2.11 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 126.488 2.368 . . . . 10.0 108.957 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -165.93 161.88 17.84 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 128.687 3.742 . . . . 10.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.96 -178.71 3.73 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 112.531 -2.122 . . . . 10.0 107.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -146.23 -57.18 0.29 Allowed 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 113.875 -1.511 . . . . 10.0 110.445 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -130.69 32.17 4.42 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 126.472 2.358 . . . . 10.0 111.203 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -72.91 -27.86 62.12 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-O 122.855 1.312 . . . . 10.0 109.389 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.13 -50.62 18.62 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 113.29 -1.777 . . . . 10.0 112.822 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.6 -25.25 62.96 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.668 -2.06 . . . . 10.0 112.16 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -67.64 -22.77 65.31 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 111.624 -2.535 . . . . 10.0 112.911 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 20' ' ' LEU . 22.7 mt -77.99 -26.49 48.67 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 123.809 1.766 . . . . 10.0 109.757 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -70.63 -26.77 63.63 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.301 -1.772 . . . . 10.0 112.773 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -69.17 -38.56 78.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 111.186 -2.733 . . . . 10.0 112.258 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' OD2' ' A' ' 78' ' ' ASP . 48.9 mt -92.19 8.7 36.86 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 112.944 -1.935 . . . . 10.0 112.689 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.15 34.91 18.75 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 112.709 -2.041 . . . . 10.0 113.068 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.5 138.88 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 CA-C-N 114.534 -1.212 . . . . 10.0 111.816 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -48.61 157.28 0.38 Allowed 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 111.919 -2.401 . . . . 10.0 111.564 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG13 ' H ' ' A' ' 27' ' ' VAL . 1.8 m -73.4 -21.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 110.831 -2.895 . . . . 10.0 111.811 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.62 76.02 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.379 2.924 . . . . 10.0 113.417 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.641 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.8 OUTLIER -73.84 -25.42 60.06 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.91 -2.859 . . . . 10.0 111.556 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -71.1 -32.2 68.73 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 124.816 1.322 . . . . 10.0 111.094 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -45.62 64.44 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 128.756 3.785 . . . . 10.0 112.768 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.435 HG22 HD12 ' A' ' 36' ' ' LEU . 32.1 mt -72.49 -24.15 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 110.053 -3.249 . . . . 10.0 112.529 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.69 67.83 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 126.347 2.279 . . . . 10.0 114.17 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -74.62 -32.29 62.26 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 128.001 3.313 . . . . 10.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.35 12.0 28.52 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.101 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.56 109.26 19.99 Favored 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 117.701 -1.6 . . . . 10.0 113.199 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -138.85 82.4 20.64 Favored Pre-proline 0 C--O 1.211 -0.926 0 CA-C-N 113.279 -1.782 . . . . 10.0 111.262 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -85.35 174.53 6.93 Favored 'Trans proline' 0 CA--C 1.511 -0.641 0 O-C-N 126.875 3.04 . . . . 10.0 109.132 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.61 108.37 8.53 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 124.144 1.926 . . . . 10.0 110.235 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 1.1 mtpt -62.73 143.26 57.62 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.282 -2.236 . . . . 10.0 113.79 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' HD13 ' A' ' 42' ' ' ILE . 10.4 tt0 -130.32 111.94 12.84 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 113.044 -1.889 . . . . 10.0 108.564 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.577 ' N ' HD13 ' A' ' 42' ' ' ILE . 2.9 mm -91.36 142.55 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 112.466 -2.152 . . . . 10.0 112.935 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.37 63.04 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.175 -1.375 . . . . 10.0 109.418 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -66.7 146.95 53.9 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 126.706 2.504 . . . . 10.0 114.254 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 3.3 m-20 -144.25 81.83 1.68 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 110.199 -3.182 . . . . 10.0 110.347 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.12 -115.81 8.17 Favored Glycine 0 N--CA 1.472 1.092 0 O-C-N 128.483 3.614 . . . . 10.0 113.432 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -64.9 -49.22 71.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 111.252 -2.474 . . . . 10.0 112.219 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -84.03 131.0 34.86 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 127.817 3.198 . . . . 10.0 110.295 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.85 115.11 16.76 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 126.912 2.632 . . . . 10.0 111.804 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.11 139.19 19.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.5 HG13 HD12 ' A' ' 42' ' ' ILE . 1.2 mp -117.89 124.97 73.83 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 O-C-N 125.0 1.438 . . . . 10.0 110.237 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -112.85 119.16 37.05 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -105.17 104.81 14.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 107.869 -1.159 . . . . 10.0 107.869 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -103.36 99.15 8.98 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 115.335 1.605 . . . . 10.0 115.335 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.4 p -132.25 165.4 24.23 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 127.838 3.212 . . . . 10.0 107.652 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -94.69 3.62 54.83 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.141 -1.39 . . . . 10.0 112.168 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 79.4 m-85 -99.71 -45.38 5.78 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 109.963 -3.289 . . . . 10.0 112.763 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -168.51 105.07 0.44 Allowed 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 127.202 2.814 . . . . 10.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -72.39 126.68 30.43 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.485 2.991 . . . . 10.0 109.131 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.788 ' C ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -122.87 141.47 51.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 113.38 -1.736 . . . . 10.0 109.883 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.788 HD12 ' C ' ' A' ' 60' ' ' TYR . 3.6 mp -130.21 124.66 58.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 126.358 2.98 . . . . 10.0 108.968 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 37.9 mtt -124.91 149.97 47.03 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 112.522 -2.126 . . . . 10.0 110.589 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -122.45 82.29 1.95 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 124.631 2.158 . . . . 10.0 108.365 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -80.55 118.76 22.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 111.833 -2.439 . . . . 10.0 114.34 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -103.36 135.85 44.21 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 112.608 -2.087 . . . . 10.0 108.658 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.74 117.04 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.027 0 CA-C-N 112.95 -1.932 . . . . 10.0 113.617 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.58 -21.74 44.49 Favored Glycine 0 C--O 1.211 -1.303 0 CA-C-N 113.311 -1.768 . . . . 10.0 111.969 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 141.73 46.57 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 113.612 -1.294 . . . . 10.0 112.856 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 144.1 48.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 111.257 -2.701 . . . . 10.0 112.482 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -155.01 159.25 40.19 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 125.928 2.775 . . . . 10.0 109.082 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 148.75 33.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.196 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -132.49 110.09 10.26 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 110.603 -2.999 . . . . 10.0 108.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -100.31 112.05 24.36 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 126.58 2.425 . . . . 10.0 109.811 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.13 48.37 0.84 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 109.04 -3.709 . . . . 10.0 108.072 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.24 18.77 13.02 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 124.444 2.068 . . . . 10.0 114.476 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.83 24.99 2.27 Favored Glycine 0 C--O 1.217 -0.932 0 CA-C-N 111.726 -2.488 . . . . 10.0 108.922 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.8 -63.43 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 CA-C-O 125.003 2.335 . . . . 10.0 109.473 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.739 ' OD2' HD22 ' A' ' 23' ' ' LEU . 41.6 p-10 -153.89 22.99 0.51 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 109.655 -3.429 . . . . 10.0 114.563 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 39.88 90.7 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 123.878 1.799 . . . . 10.0 114.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.75 -61.69 0.99 Allowed 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt 67.19 103.96 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 124.589 2.138 . . . . 10.0 112.963 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.57 -173.13 3.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.511 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.6 mtp -113.31 149.32 34.11 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.186 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.4 m -146.34 143.0 28.81 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 127.229 2.831 . . . . 10.0 114.139 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.05 142.97 51.16 Favored 'General case' 0 C--O 1.217 -0.629 1 O-C-N 129.199 4.062 . . . . 10.0 108.544 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 64' ' ' PHE . 85.6 t -127.76 135.49 62.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 O-C-N 126.03 2.081 . . . . 10.0 112.299 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 t -137.51 127.87 26.42 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 110.753 -2.931 . . . . 10.0 107.989 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -87.52 18.77 3.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 116.994 -1.479 . . . . 10.0 114.689 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 t70 30.97 44.12 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.764 3.165 . . . . 10.0 114.047 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 40.18 31.69 0.35 Allowed Glycine 0 C--N 1.347 1.184 0 CA-C-N 112.155 -2.293 . . . . 10.0 114.027 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t0 153.38 121.78 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.632 0 O-C-N 128.333 3.02 . . . . 10.0 108.265 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.03 115.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 126.1 2.125 . . . . 10.0 107.88 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 120.91 13.85 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.367 -1.742 . . . . 10.0 111.123 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.31 108.88 13.24 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 125.336 2.493 . . . . 10.0 113.216 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.8 t -102.47 127.86 49.33 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.906 -1.952 . . . . 10.0 113.63 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.55 147.07 33.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 127.092 2.745 . . . . 10.0 109.141 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -116.74 151.01 37.3 Favored 'General case' 0 CA--C 1.495 -1.138 1 O-C-N 129.589 4.305 . . . . 10.0 109.199 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -92.83 -10.16 37.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.205 -1.362 . . . . 10.0 112.816 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' LYS . . . -42.76 110.92 0.3 Allowed Glycine 0 C--O 1.209 -1.44 0 O-C-N 126.992 2.682 . . . . 10.0 109.513 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -56.2 85.28 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 124.95 2.31 . . . . 10.0 113.204 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -156.38 -164.52 1.69 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.636 -2.529 . . . . 10.0 107.91 -179.692 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -125.86 91.06 3.31 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.693 2.496 . . . . 10.0 110.646 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.06 -45.41 1.0 Allowed Glycine 0 N--CA 1.462 0.429 0 C-N-CA 119.412 -1.375 . . . . 10.0 114.079 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -31.2 94.19 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 127.699 3.619 . . . . 10.0 115.439 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.5 149.38 5.93 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 110.31 -3.132 . . . . 10.0 112.578 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.501 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 2.7 m0 -126.21 145.71 50.27 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 123.903 1.811 . . . . 10.0 114.036 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.1 m -126.6 134.2 50.86 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 111.733 -2.485 . . . . 10.0 109.578 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.505 ' HG2' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.23 132.83 41.93 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 125.336 1.648 . . . . 10.0 115.357 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.41 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 2.0 p90 -138.5 142.59 39.35 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 128.205 3.441 . . . . 10.0 107.887 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.8 mt -113.71 151.5 15.54 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-O 125.564 2.602 . . . . 10.0 114.047 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -136.86 -179.18 5.54 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 108.928 -3.76 . . . . 10.0 108.76 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.67 84.11 0.01 OUTLIER Glycine 0 C--O 1.213 -1.175 0 O-C-N 128.246 3.466 . . . . 10.0 113.521 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.19 74.02 0.45 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 126.417 1.892 . . . . 10.0 109.572 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 173.18 136.64 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 110.717 -2.947 . . . . 10.0 108.406 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.674 HD13 ' CE3' ' A' ' 8' ' ' TRP . 1.7 tt -117.03 100.69 7.92 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 111.48 -2.6 . . . . 10.0 108.282 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 143.81 32.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 113.241 -1.799 . . . . 10.0 109.028 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.68 HD13 ' HG3' ' A' ' 119' ' ' MET . 4.5 pp -150.38 173.27 14.2 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 114.812 -1.085 . . . . 10.0 109.206 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -135.7 92.58 2.84 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 128.159 3.412 . . . . 10.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.68 ' HG3' HD13 ' A' ' 117' ' ' LEU . 32.4 mtt -83.32 140.95 32.15 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 113.939 -1.482 . . . . 10.0 108.442 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -141.77 139.49 32.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 129.006 3.941 . . . . 10.0 110.784 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -171.39 117.37 0.43 Allowed 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.07 -1.877 . . . . 10.0 111.993 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 70.37 23.61 4.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.891 -1.049 . . . . 10.0 113.603 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.8 11.1 55.76 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 113.297 -1.774 . . . . 10.0 114.586 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 22' ' ' ALA . 47.0 t -96.25 162.06 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.129 0 C-N-CA 118.292 -1.363 . . . . 10.0 109.855 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.432 ' N ' ' CG1' ' A' ' 124' ' ' VAL . 1.7 m -141.27 86.74 2.04 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 112.812 -1.994 . . . . 10.0 107.865 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 13.4 t -101.45 104.74 15.69 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 125.901 2.001 . . . . 10.0 113.137 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -104.37 86.07 2.46 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.807 2.567 . . . . 10.0 111.959 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.84 137.71 40.65 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 125.115 2.388 . . . . 10.0 114.047 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 1.008 HG12 HD12 ' A' ' 11' ' ' LEU . 22.5 t -91.76 92.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 109.849 -3.341 . . . . 10.0 115.186 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.85 143.79 26.77 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 128.36 3.538 . . . . 10.0 109.821 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.711 ' HB2' HD11 ' A' ' 11' ' ' LEU . 11.2 tptm -125.18 124.05 40.93 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 124.312 2.006 . . . . 10.0 112.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -68.22 109.8 3.74 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 111.522 -2.581 . . . . 10.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.2 -55.12 18.18 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 CA-C-N 112.613 -2.085 . . . . 10.0 107.881 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.259 1.578 0 O-C-N 128.575 3.672 . . . . 10.0 113.026 179.674 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.641 ' H42' HD21 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo . . . . . 0 N--CA 1.502 1.976 0 N-CA-C 108.669 -1.319 . . . . 10.0 108.669 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -46.56 143.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 125.312 2.482 . . . . 10.0 111.229 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -136.61 112.09 9.28 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 109.65 -3.432 . . . . 10.0 111.212 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.36 -33.54 76.2 Favored 'General case' 0 CA--C 1.499 -0.993 0 O-C-N 127.116 2.76 . . . . 10.0 112.839 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.36 104.71 1.0 Allowed 'General case' 0 C--O 1.209 -1.072 0 CA-C-N 112.775 -2.012 . . . . 10.0 111.38 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.7 179.1 48.76 Favored Glycine 0 C--N 1.348 1.226 0 C-N-CA 117.15 -2.452 . . . . 10.0 114.41 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -104.57 104.04 13.8 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 125.373 1.278 . . . . 10.0 109.768 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 11.2 m95 -107.64 108.3 19.49 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 118.681 -1.208 . . . . 10.0 109.46 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -98.04 144.15 27.84 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 126.939 2.649 . . . . 10.0 109.709 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.69 163.56 0.3 Allowed 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 126.206 2.908 . . . . 10.0 112.292 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -138.35 -58.11 0.64 Allowed 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 110.503 -3.044 . . . . 10.0 108.415 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -152.0 -176.93 5.86 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 110.079 -3.237 . . . . 10.0 108.428 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 1.8 p-10 -175.44 93.35 0.06 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.227 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -83.51 149.35 26.67 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 111.887 -2.415 . . . . 10.0 111.844 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 53.0 20.34 1.65 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 111.859 -2.428 . . . . 10.0 114.204 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.526 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 35.1 t80 -74.33 -23.01 58.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.162 1.458 . . . . 10.0 112.553 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.12 -38.73 60.99 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 114.147 -1.388 . . . . 10.0 111.418 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.31 -24.77 62.2 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 113.047 -1.888 . . . . 10.0 113.697 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.67 -31.32 66.67 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 124.453 2.073 . . . . 10.0 111.57 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD11 ' CB ' ' A' ' 33' ' ' ALA . 18.5 mt -71.66 -32.74 68.23 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.588 -2.096 . . . . 10.0 113.034 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -77.25 -24.17 51.19 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 110.698 -2.955 . . . . 10.0 112.711 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.34 66.66 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.927 -1.942 . . . . 10.0 112.781 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD22 ' OD2' ' A' ' 78' ' ' ASP . 8.6 mt -106.94 15.67 25.12 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 112.091 -2.322 . . . . 10.0 111.224 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 42.3 40.34 1.76 Allowed 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 124.893 2.282 . . . . 10.0 113.666 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.629 HG12 ' N ' ' A' ' 26' ' ' ASN . 6.2 t -57.72 -74.74 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-N 111.11 -2.768 . . . . 10.0 112.857 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.629 ' N ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER 172.16 150.52 0.06 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.153 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.786 HG23 ' NH2' ' A' ' 30' ' ' ARG . 10.2 p -68.92 -31.15 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 114.412 1.264 . . . . 10.0 114.412 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.63 -43.26 76.73 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 111.255 -2.702 . . . . 10.0 115.03 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -27.26 64.64 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 125.851 2.739 . . . . 10.0 111.826 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.786 ' NH2' HG23 ' A' ' 27' ' ' VAL . 3.1 tmm_? -72.72 -30.91 64.59 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 111.468 -2.606 . . . . 10.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -79.89 -29.16 39.87 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.44 3.588 . . . . 10.0 109.531 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.469 HG21 ' CE2' ' A' ' 57' ' ' PHE . 5.9 mt -79.72 -28.88 12.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 127.087 2.742 . . . . 10.0 111.456 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.526 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -75.62 -20.96 58.17 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.376 2.036 . . . . 10.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.59 -33.85 69.38 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 111.22 -2.718 . . . . 10.0 113.711 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.41 2.16 48.67 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 110.843 -2.889 . . . . 10.0 113.92 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.8 mt -128.79 143.51 50.93 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 112.946 -1.933 . . . . 10.0 113.574 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -151.52 80.07 6.42 Favored Pre-proline 0 CA--C 1.495 -1.16 0 O-C-N 126.641 2.463 . . . . 10.0 112.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -44.04 148.07 1.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 O-C-N 124.89 1.995 . . . . 10.0 114.463 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -108.99 112.08 24.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.839 -2.437 . . . . 10.0 107.589 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.16 143.66 41.03 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 127.552 3.032 . . . . 10.0 114.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.69 84.67 2.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 124.922 2.296 . . . . 10.0 112.232 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.44 143.52 12.75 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 110.573 -3.012 . . . . 10.0 109.303 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.21 111.4 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-N 109.792 -3.367 . . . . 10.0 113.055 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.7 130.41 34.7 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 123.515 1.626 . . . . 10.0 111.42 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -147.36 67.12 1.13 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 113.012 -1.904 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.44 -116.04 4.13 Favored Glycine 0 C--O 1.209 -1.429 0 CA-C-N 111.781 -2.463 . . . . 10.0 114.332 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.6 29.16 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.604 -2.298 . . . . 10.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -74.39 165.02 25.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.326 1.536 . . . . 10.0 109.437 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 ttp -155.41 84.12 1.05 Allowed 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 111.23 -2.714 . . . . 10.0 109.118 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.7 mt -75.22 133.03 32.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.274 -0.875 . . . . 10.0 112.816 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 mt -114.27 133.95 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 O-C-N 128.735 3.772 . . . . 10.0 110.648 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -117.51 138.61 51.77 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 127.512 3.007 . . . . 10.0 109.424 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -135.69 98.97 4.06 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 109.771 -3.377 . . . . 10.0 108.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.12 108.4 20.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 108.925 -3.761 . . . . 10.0 115.444 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -147.04 107.69 4.12 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 112.822 -1.99 . . . . 10.0 108.794 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -33.24 -35.91 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 O-C-N 127.978 3.298 . . . . 10.0 114.177 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.469 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -66.8 -55.32 15.42 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 112.797 -2.001 . . . . 10.0 113.263 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -157.64 112.53 2.7 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.834 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -75.08 171.32 14.33 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 111.867 -2.424 . . . . 10.0 108.882 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -163.27 89.97 0.64 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 112.165 -2.289 . . . . 10.0 113.324 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.9 mp -109.82 128.82 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 123.943 1.83 . . . . 10.0 113.946 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 mmt -149.86 169.43 21.14 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 111.885 -2.416 . . . . 10.0 109.572 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -115.44 135.17 54.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 110.082 -3.235 . . . . 10.0 108.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.12 113.48 17.78 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 114.387 -1.279 . . . . 10.0 114.051 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -83.27 98.26 9.32 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 127.106 2.754 . . . . 10.0 108.239 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 66' ' ' VAL . 24.9 t -61.26 110.69 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.403 -1.726 . . . . 10.0 113.871 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.67 -4.99 21.01 Favored Glycine 0 C--O 1.208 -1.518 0 O-C-N 127.31 2.881 . . . . 10.0 114.442 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.34 166.96 11.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 113.561 -1.32 . . . . 10.0 113.174 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.11 156.17 19.82 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 110.582 -3.008 . . . . 10.0 112.295 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -133.76 -178.95 5.25 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 112.697 -2.047 . . . . 10.0 114.048 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -140.88 61.86 1.49 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 126.626 2.454 . . . . 10.0 109.144 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.98 144.47 14.89 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 110.643 -2.98 . . . . 10.0 113.484 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.9 115.75 12.23 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 111.316 -2.675 . . . . 10.0 109.729 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 74' ' ' LEU . 5.1 mp -120.61 52.02 1.19 Allowed 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 111.581 -2.554 . . . . 10.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -77.75 -4.36 45.94 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 122.871 1.32 . . . . 10.0 113.514 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -103.03 -5.39 47.08 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-N 113.563 -1.653 . . . . 10.0 111.552 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.31 -74.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 CA-C-N 112.956 -1.622 . . . . 10.0 110.299 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.589 ' OD2' HD22 ' A' ' 23' ' ' LEU . 2.7 p-10 -143.77 20.49 1.82 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.252 -0.885 . . . . 10.0 113.015 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 54.5 t0 36.31 76.9 0.05 OUTLIER 'General case' 0 C--O 1.209 -1.078 0 O-C-N 127.053 2.721 . . . . 10.0 113.364 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.3 mtp180 -82.31 -67.26 0.8 Allowed 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 110.416 -3.083 . . . . 10.0 113.109 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt 71.69 85.22 0.13 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 128.558 3.661 . . . . 10.0 111.561 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 93.3 m -131.46 178.44 6.73 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.195 -1.366 . . . . 10.0 112.8 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' LYS . 1.8 mtm -105.88 133.94 49.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.558 -2.11 . . . . 10.0 108.926 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 m -115.91 143.38 45.51 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 124.321 2.01 . . . . 10.0 114.049 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 96' ' ' VAL . 1.9 m -150.49 115.8 5.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 112.534 -2.121 . . . . 10.0 107.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.606 ' CG1' HD11 ' A' ' 93' ' ' LEU . 38.4 t -108.17 145.16 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 O-C-N 127.312 2.883 . . . . 10.0 109.195 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.428 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.4 m -158.83 154.85 26.78 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.262 -2.699 . . . . 10.0 111.127 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -99.61 151.21 21.45 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 112.431 -2.168 . . . . 10.0 111.64 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -101.33 -59.62 1.67 Allowed 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 112.311 -2.222 . . . . 10.0 111.768 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.89 110.26 0.27 Allowed Glycine 0 C--N 1.345 1.029 0 O-C-N 126.799 2.562 . . . . 10.0 111.559 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.96 18.22 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 128.003 2.825 . . . . 10.0 113.367 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 143.04 1.18 Allowed 'General case' 0 C--O 1.209 -1.054 0 CA-C-N 111.183 -2.735 . . . . 10.0 113.13 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.606 HD11 ' CG1' ' A' ' 86' ' ' VAL . 25.9 tp -100.62 120.46 40.09 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 127.09 2.744 . . . . 10.0 111.677 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -109.66 152.06 26.07 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.699 2.499 . . . . 10.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 86' ' ' VAL . 28.5 m -138.98 148.2 43.17 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 114.132 -1.394 . . . . 10.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -140.42 121.09 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 110.33 -3.123 . . . . 10.0 112.288 -179.692 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -104.75 79.86 1.58 Allowed 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 127.639 3.087 . . . . 10.0 113.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' MET . 1.5 tttt -41.51 94.79 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 125.543 2.592 . . . . 10.0 113.845 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.63 -152.65 8.5 Favored Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 109.522 -3.49 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.47 46.11 1.61 Allowed 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 126.912 2.184 . . . . 10.0 111.54 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -124.71 -89.34 0.58 Allowed 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 111.525 -2.58 . . . . 10.0 114.59 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER 171.53 136.26 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.24 0.34 Allowed Glycine 0 C--O 1.212 -1.256 0 O-C-N 128.25 3.469 . . . . 10.0 110.683 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -83.85 62.11 6.77 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 125.062 2.363 . . . . 10.0 112.991 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.52 158.56 27.73 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 113.558 -1.656 . . . . 10.0 109.688 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -108.6 153.67 23.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 123.523 1.63 . . . . 10.0 115.034 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -135.3 116.47 14.4 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 111.874 -2.421 . . . . 10.0 107.786 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 117' ' ' LEU . 10.0 mp0 -114.99 160.79 19.16 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 123.946 1.831 . . . . 10.0 114.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -157.54 94.74 1.39 Allowed 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 110.023 -3.262 . . . . 10.0 108.918 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.45 147.43 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-N 110.474 -3.057 . . . . 10.0 109.838 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.9 -176.9 3.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 109.866 -3.333 . . . . 10.0 109.686 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.05 -60.62 4.93 Favored Glycine 0 C--O 1.221 -0.662 0 O-C-N 127.045 2.716 . . . . 10.0 112.217 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -138.99 61.07 1.58 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 177.12 146.04 0.1 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.036 -0.983 . . . . 10.0 109.748 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.65 110.38 22.67 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.859 1.349 . . . . 10.0 110.218 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -99.08 103.39 15.3 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 125.641 2.638 . . . . 10.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 118' ' ' GLU . 1.7 tp -116.98 128.19 54.94 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 111.059 -2.791 . . . . 10.0 109.617 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.6 mt-10 -118.91 73.18 0.91 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 124.482 2.087 . . . . 10.0 110.262 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -58.43 158.15 7.86 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 109.606 -3.452 . . . . 10.0 112.33 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 119' ' ' MET . 4.2 mtm180 -144.75 146.42 32.15 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.448 -1.251 . . . . 10.0 108.586 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.78 118.44 2.43 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 123.893 1.806 . . . . 10.0 113.165 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.04 19.93 1.14 Allowed 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 114.372 1.249 . . . . 10.0 114.372 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.82 -14.64 24.23 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 118.982 -0.899 . . . . 10.0 113.59 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.95 146.71 5.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 125.984 1.637 . . . . 10.0 109.076 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 45.1 m -116.91 118.82 33.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.343 1.544 . . . . 10.0 112.97 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.3 132.52 47.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 112.936 -1.938 . . . . 10.0 112.052 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 88.63 2.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 126.241 2.213 . . . . 10.0 113.784 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -78.75 115.82 18.7 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 109.509 -3.496 . . . . 10.0 108.269 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 130' ' ' PHE . 2.8 t -104.42 156.14 5.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 112.287 -2.233 . . . . 10.0 113.705 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.508 ' N ' HG12 ' A' ' 129' ' ' VAL . 4.6 m-85 -144.54 156.66 44.26 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 109.688 -3.415 . . . . 10.0 108.864 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.536 ' HB2' HD23 ' A' ' 11' ' ' LEU . 10.3 tptp -126.73 109.5 12.12 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 127.161 2.788 . . . . 10.0 113.021 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 8' ' ' TRP . 6.6 tttt -55.1 104.62 0.13 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 111.942 -2.39 . . . . 10.0 111.429 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.52 -53.48 39.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 O-C-N 126.64 2.462 . . . . 10.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.985 1 O-C-N 130.763 5.039 . . . . 10.0 108.989 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.568 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo . . . . . 0 N--CA 1.506 2.249 0 N-CA-C 108.547 -1.367 . . . . 10.0 108.547 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.7 m -70.58 -20.47 22.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 109.845 -3.343 . . . . 10.0 112.601 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.02 95.41 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 O-C-N 128.204 3.44 . . . . 10.0 113.22 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -78.68 -28.96 45.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 113.2 -1.818 . . . . 10.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -59.88 141.67 54.99 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 111.968 -2.378 . . . . 10.0 111.919 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.18 -145.65 15.43 Favored Glycine 0 C--O 1.209 -1.443 0 CA-C-N 112.563 -2.108 . . . . 10.0 108.933 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.24 140.39 52.57 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 124.722 2.201 . . . . 10.0 109.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.838 ' CD2' HD12 ' A' ' 115' ' ' LEU . 4.1 m95 -142.34 107.44 4.95 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.738 -2.028 . . . . 10.0 114.177 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -100.4 153.25 19.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 112.811 -1.995 . . . . 10.0 107.676 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.444 ' HG3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.94 159.76 0.38 Allowed 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.287 1.617 . . . . 10.0 111.508 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 131' ' ' LYS . 0.8 OUTLIER -138.19 -54.12 0.63 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 109.72 -3.4 . . . . 10.0 112.221 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -178.05 157.98 1.18 Allowed 'General case' 0 C--O 1.221 -0.44 0 O-C-N 128.168 3.417 . . . . 10.0 108.859 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.13 -177.42 4.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 126.443 2.339 . . . . 10.0 108.473 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -170.87 123.64 0.62 Allowed 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 126.403 2.314 . . . . 10.0 108.782 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.07 30.14 3.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 123.074 1.416 . . . . 10.0 108.816 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -71.95 -45.69 60.19 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 114.26 -1.336 . . . . 10.0 113.493 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.72 -25.16 61.12 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.138 -0.937 . . . . 10.0 112.781 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.04 -37.06 64.43 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.609 -2.541 . . . . 10.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.4 t80 -73.92 -27.19 60.91 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 110.714 -2.948 . . . . 10.0 111.112 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.601 HD21 H183 ' A' ' 135' ' ' RTL . 7.9 mt -77.3 -29.26 53.62 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 110.834 -2.894 . . . . 10.0 108.904 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -78.61 -22.75 46.54 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 112.836 -1.984 . . . . 10.0 108.91 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -66.9 -27.76 67.76 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.175 -1.829 . . . . 10.0 114.467 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB2' HG23 ' A' ' 25' ' ' VAL . 8.6 mt -99.74 8.95 43.87 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.06 -0.973 . . . . 10.0 111.924 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.45 49.78 6.2 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 127.12 2.762 . . . . 10.0 108.538 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.579 HG12 ' N ' ' A' ' 26' ' ' ASN . 14.2 t -59.69 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 111.251 -2.704 . . . . 10.0 113.45 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.579 ' N ' HG12 ' A' ' 25' ' ' VAL . 3.0 m-20 172.83 155.9 0.1 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 114.817 -1.083 . . . . 10.0 109.023 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -76.25 -30.22 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 122.894 1.33 . . . . 10.0 110.43 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.72 71.02 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 111.88 -2.418 . . . . 10.0 114.406 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -78.22 -21.89 49.33 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 117.398 -1.721 . . . . 10.0 113.728 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -72.47 -29.5 63.72 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 111.144 -2.753 . . . . 10.0 109.954 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -77.61 -42.64 34.29 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 112.572 -2.104 . . . . 10.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.643 HG21 ' CE2' ' A' ' 57' ' ' PHE . 9.2 mt -74.84 -30.84 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-N 113.021 -1.9 . . . . 10.0 112.501 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -62.57 -20.53 64.79 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.385 -2.189 . . . . 10.0 113.679 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -73.68 -24.99 60.03 Favored 'General case' 0 C--O 1.21 -0.987 0 CA-C-N 111.381 -2.645 . . . . 10.0 112.475 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 mt -100.66 7.77 43.74 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 128.483 3.614 . . . . 10.0 109.618 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -105.22 116.49 32.03 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 114.625 -1.17 . . . . 10.0 111.009 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HB3' ' HG3' ' A' ' 10' ' ' MET . 12.2 mttp -145.92 62.7 8.56 Favored Pre-proline 0 CA--C 1.511 -0.541 0 O-C-N 127.38 2.925 . . . . 10.0 108.486 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 9.4 Cg_endo -61.05 175.18 1.45 Allowed 'Trans proline' 0 CA--C 1.493 -1.527 0 O-C-N 126.495 2.84 . . . . 10.0 114.905 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.75 165.53 14.42 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-N 111.344 -2.662 . . . . 10.0 109.238 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -136.86 149.85 47.93 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 114.765 -1.107 . . . . 10.0 112.169 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.12 91.98 2.61 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 111.57 -2.559 . . . . 10.0 112.32 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 8' ' ' TRP . 4.4 mt -89.73 145.47 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.992 0 CA-C-O 124.566 2.127 . . . . 10.0 108.88 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.1 97.48 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 CA-C-O 125.285 2.469 . . . . 10.0 110.081 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -76.52 120.76 22.18 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.497 -2.138 . . . . 10.0 111.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.66 86.2 1.73 Allowed 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 111.534 -2.575 . . . . 10.0 114.006 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.24 -129.91 9.73 Favored Glycine 0 C--N 1.335 0.498 0 CA-C-N 110.493 -3.048 . . . . 10.0 111.031 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.58 -17.93 55.38 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 113.143 -1.528 . . . . 10.0 111.602 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.36 161.96 18.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.701 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 34.4 ttm -168.46 77.29 0.13 Allowed 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 124.016 1.865 . . . . 10.0 111.074 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -69.48 136.12 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-N 113.593 -1.64 . . . . 10.0 113.238 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.61 123.64 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-N 111.68 -2.509 . . . . 10.0 109.458 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -111.66 113.05 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 113.416 -1.72 . . . . 10.0 112.64 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.9 m -102.69 118.64 37.29 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 122.721 1.248 . . . . 10.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.5 mt -118.57 98.5 6.27 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 113.55 -1.659 . . . . 10.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 49.5 p -112.72 -1.45 14.74 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 115.496 1.665 . . . . 10.0 115.496 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 56' ' ' THR . 19.6 m 54.21 29.6 10.87 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.836 1.779 . . . . 10.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.643 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -140.06 -60.4 0.53 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.653 1.692 . . . . 10.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -147.18 106.06 3.84 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 125.553 2.597 . . . . 10.0 111.986 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -77.75 107.9 10.58 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 112.039 -2.346 . . . . 10.0 113.744 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -96.81 124.85 40.91 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 112.657 -2.065 . . . . 10.0 109.098 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 60' ' ' TYR . 20.0 mm -120.8 112.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 CA-C-N 111.608 -2.542 . . . . 10.0 113.281 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.6 mtp -123.48 101.75 7.51 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 125.435 2.54 . . . . 10.0 110.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -39.43 94.24 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.602 -2.09 . . . . 10.0 109.74 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 62.57 167.58 0.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 O-C-N 127.106 2.754 . . . . 10.0 110.195 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -165.79 85.39 0.35 Allowed 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.769 1.293 . . . . 10.0 109.696 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.5 t -45.66 130.26 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 113.697 -1.592 . . . . 10.0 114.482 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 3.51 86.19 Favored Glycine 0 N--CA 1.473 1.106 0 O-C-N 126.225 2.203 . . . . 10.0 113.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 158.5 31.67 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.559 -0.321 . . . . 10.0 110.402 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -108.44 135.97 48.84 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 129.311 4.132 . . . . 10.0 114.435 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.52 145.33 18.85 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-O 126.577 3.085 . . . . 10.0 113.132 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -75.73 123.58 25.82 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 109.865 -3.334 . . . . 10.0 112.581 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -106.48 132.78 52.09 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 127.091 2.744 . . . . 10.0 110.938 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -108.43 115.6 30.41 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.088 -1.869 . . . . 10.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.76 58.46 1.65 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.949 1.833 . . . . 10.0 111.637 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.39 108.96 20.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 111.451 -2.613 . . . . 10.0 112.172 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.87 -18.86 5.89 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-N 111.643 -2.526 . . . . 10.0 108.414 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 77' ' ' ILE . 3.4 mp -98.18 -79.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 110.766 -2.717 . . . . 10.0 108.816 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.416 ' HA ' HG22 ' A' ' 25' ' ' VAL . 1.2 p30 -109.98 -10.43 14.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 126.895 2.622 . . . . 10.0 114.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.03 72.18 0.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 126.18 2.175 . . . . 10.0 112.949 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.07 139.88 0.29 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 110.779 -2.919 . . . . 10.0 111.464 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.8 174.56 5.83 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 126.752 2.532 . . . . 10.0 109.874 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.5 177.39 2.17 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 111.9 -2.409 . . . . 10.0 109.715 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.4 mtt -104.7 126.08 51.43 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 124.736 2.208 . . . . 10.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.0 m -120.88 142.29 49.81 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 110.513 -3.04 . . . . 10.0 112.731 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -135.67 145.12 46.43 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 127.712 3.132 . . . . 10.0 108.556 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.98 138.22 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 127.988 3.305 . . . . 10.0 108.398 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -129.53 176.67 7.79 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 127.359 2.912 . . . . 10.0 111.623 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.55 91.67 3.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.032 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -98.47 50.8 0.99 Allowed 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 126.946 2.654 . . . . 10.0 114.641 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.36 -131.22 7.58 Favored Glycine 0 C--O 1.221 -0.682 0 CA-C-N 113.13 -1.85 . . . . 10.0 113.042 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.34 -19.98 20.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 127.273 2.396 . . . . 10.0 109.065 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -91.32 177.73 6.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 128.23 3.456 . . . . 10.0 112.915 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.88 96.4 5.05 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 110.967 -2.833 . . . . 10.0 110.238 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.15 116.41 28.91 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 109.682 -3.417 . . . . 10.0 114.478 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 m -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.643 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.8 m -112.84 135.6 51.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 O-C-N 125.293 1.621 . . . . 10.0 114.808 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB3' ' HG2' ' A' ' 104' ' ' ARG . 33.9 mt-30 -117.18 93.55 4.22 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 127.221 2.825 . . . . 10.0 108.275 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -39.25 -50.5 1.97 Allowed 'General case' 0 C--O 1.217 -0.642 0 O-C-N 128.794 3.809 . . . . 10.0 112.379 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 31.26 -127.34 0.2 Allowed Glycine 0 C--O 1.217 -0.921 1 O-C-N 129.552 4.283 . . . . 10.0 112.086 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -168.64 36.91 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.445 -2.878 . . . . 10.0 110.132 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HG3' ' NH1' ' A' ' 104' ' ' ARG . 17.6 mmtt -125.33 173.67 8.67 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 84.74 2.51 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 114.153 -1.385 . . . . 10.0 114.675 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.1 -94.43 0.65 Allowed Glycine 0 C--O 1.213 -1.197 0 N-CA-C 108.262 -1.935 . . . . 10.0 108.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' HG2' ' HB3' ' A' ' 97' ' ' GLN . 3.7 ttm180 48.57 86.27 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 109.906 -3.147 . . . . 10.0 114.734 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.89 134.2 2.17 Favored Glycine 0 C--O 1.213 -1.168 0 CA-C-N 113.438 -1.71 . . . . 10.0 112.742 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -102.3 147.07 27.13 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -140.93 123.91 16.35 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 126.567 2.417 . . . . 10.0 109.576 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.72 146.85 38.02 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.253 2.221 . . . . 10.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.486 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -159.71 149.24 18.19 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.997 -2.82 . . . . 10.0 113.522 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 26.2 mt -106.38 149.1 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.176 0 CA-C-N 111.702 -2.499 . . . . 10.0 110.301 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -110.07 -97.72 0.4 Allowed 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 112.302 -2.226 . . . . 10.0 113.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.42 -82.62 1.68 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 107.84 -2.104 . . . . 10.0 107.84 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -132.04 28.9 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 126.315 1.833 . . . . 10.0 109.168 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -144.95 128.55 17.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 111.288 -2.687 . . . . 10.0 111.581 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.838 HD12 ' CD2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -75.75 135.2 40.32 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.903 1.335 . . . . 10.0 112.087 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -124.54 107.79 11.42 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.834 -1.985 . . . . 10.0 111.409 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 128' ' ' GLN . 13.4 tp -105.38 151.78 23.77 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.57 113.17 15.76 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 112.157 -2.292 . . . . 10.0 111.87 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.7 mtm -112.34 133.6 54.35 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.382 1.563 . . . . 10.0 112.353 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? -140.58 142.81 35.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 110.893 -2.867 . . . . 10.0 112.389 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -175.72 132.34 0.27 Allowed 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 110.84 -2.891 . . . . 10.0 113.924 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 62.8 19.13 11.26 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 127.842 3.214 . . . . 10.0 112.602 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 93.29 -5.98 75.1 Favored Glycine 0 C--N 1.351 1.378 0 O-C-N 120.812 -1.18 . . . . 10.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 22' ' ' ALA . 86.8 t -83.95 135.59 24.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 114.668 -0.766 . . . . 10.0 108.986 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 100.75 9.79 Favored 'General case' 0 CA--C 1.505 -0.766 0 O-C-N 126.378 2.299 . . . . 10.0 113.129 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 133.09 53.43 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 114.001 -1.454 . . . . 10.0 108.978 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.07 117.09 19.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 125.308 2.48 . . . . 10.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.446 ' HB2' HD23 ' A' ' 117' ' ' LEU . 47.0 mt-30 -101.73 152.28 21.04 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.664 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.47 134.04 43.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -134.61 135.03 41.88 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 126.015 2.072 . . . . 10.0 109.302 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.4 tptm -90.3 137.64 32.18 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 125.117 2.389 . . . . 10.0 114.468 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -98.36 128.33 44.72 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 112.917 -1.947 . . . . 10.0 108.101 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.8 t -98.89 -47.72 12.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 113.166 -1.833 . . . . 10.0 108.929 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.26 1.638 0 CA-C-O 115.694 -2.098 . . . . 10.0 114.533 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.601 H183 HD21 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo . . . . . 0 N--CA 1.499 1.801 0 CA-C-O 126.06 2.442 . . . . 10.0 113.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 t -81.42 76.29 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 CA-C-N 112.043 -2.344 . . . . 10.0 113.759 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.62 172.24 14.01 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 112.38 -2.191 . . . . 10.0 109.276 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.85 -0.02 9.12 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 125.75 1.906 . . . . 10.0 114.389 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 39.1 t-20 -70.83 145.06 50.54 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-O 121.703 0.763 . . . . 10.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 5' ' ' ASN . . . 143.85 -125.31 2.46 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 123.71 1.728 . . . . 10.0 110.599 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.8 119.39 2.9 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 113.506 -1.347 . . . . 10.0 112.345 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.508 ' CH2' ' HE2' ' A' ' 132' ' ' LYS . 4.1 m95 -122.47 153.24 39.4 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 124.542 1.151 . . . . 10.0 109.83 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -120.11 -122.85 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 127.537 3.023 . . . . 10.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -169.94 138.98 1.82 Allowed 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.362 -1.335 . . . . 10.0 110.974 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -103.3 -43.94 5.3 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.426 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -178.92 170.53 1.49 Allowed 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 126.079 2.112 . . . . 10.0 112.646 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' N ' ' OG ' ' A' ' 12' ' ' SER . 21.0 m-20 -117.36 -174.35 2.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.222 -1.808 . . . . 10.0 107.993 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.08 -44.15 0.13 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 126.714 2.508 . . . . 10.0 112.792 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -137.94 37.1 2.37 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 125.075 2.369 . . . . 10.0 109.439 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 17.0 t80 -67.8 -44.03 78.29 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 111.632 -2.531 . . . . 10.0 113.201 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -24.31 62.36 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.491 -2.141 . . . . 10.0 112.869 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' OE2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -76.39 -30.46 57.5 Favored 'General case' 0 C--O 1.21 -1.004 0 O-C-N 128.221 3.451 . . . . 10.0 111.738 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.69 -23.12 62.42 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 110.599 -3.0 . . . . 10.0 111.301 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 30' ' ' ARG . 18.5 mt -72.86 -33.12 65.91 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-O 125.14 2.4 . . . . 10.0 110.532 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.91 63.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 112.097 -2.319 . . . . 10.0 113.966 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-O 126.383 2.992 . . . . 10.0 113.332 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.54 1.25 23.22 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.351 -2.659 . . . . 10.0 110.492 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 64.63 50.84 2.04 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 113.469 -1.696 . . . . 10.0 114.735 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.546 HG11 HD22 ' A' ' 29' ' ' LEU . 22.2 t -85.71 146.87 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 112.619 -2.082 . . . . 10.0 108.024 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -51.7 157.52 1.14 Allowed 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 110.659 -2.973 . . . . 10.0 113.583 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.66 -29.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 114.661 -1.154 . . . . 10.0 112.71 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.36 69.6 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 126.548 2.405 . . . . 10.0 114.023 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -76.41 -29.14 56.95 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-O 124.509 2.099 . . . . 10.0 115.07 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.658 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.08 -29.27 54.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 111.612 -2.54 . . . . 10.0 109.621 -179.535 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -72.3 -28.76 63.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.594 2.434 . . . . 10.0 112.395 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.63 -35.12 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 CA-C-N 110.308 -3.133 . . . . 10.0 110.985 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 16' ' ' PHE . . . -63.94 -33.41 75.65 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 112.108 -2.315 . . . . 10.0 114.381 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -21.89 58.66 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.144 -2.298 . . . . 10.0 112.554 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.452 ' O ' HD22 ' A' ' 36' ' ' LEU . 15.3 mt -88.9 -1.93 58.34 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 128.134 3.396 . . . . 10.0 110.137 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 35' ' ' LEU . 2.4 mm? -119.05 126.46 51.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 126.84 2.587 . . . . 10.0 112.162 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -128.5 67.6 76.48 Favored Pre-proline 0 C--O 1.211 -0.964 0 CA-C-N 111.837 -2.438 . . . . 10.0 112.018 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.17 -171.67 0.37 Allowed 'Trans proline' 0 C--O 1.217 -0.57 0 O-C-N 128.619 3.957 . . . . 10.0 112.175 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.98 -176.9 4.4 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.718 -2.037 . . . . 10.0 110.79 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -140.42 157.89 44.84 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-N 112.806 -1.997 . . . . 10.0 113.658 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.71 94.85 2.65 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 125.176 2.417 . . . . 10.0 111.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -94.46 127.39 46.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.558 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -131.36 128.47 61.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 O-C-N 126.816 2.572 . . . . 10.0 114.375 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 149.26 50.49 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 113.038 -1.892 . . . . 10.0 110.078 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -123.85 22.12 8.97 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 112.819 -1.992 . . . . 10.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.89 -93.44 0.32 Allowed Glycine 0 C--N 1.346 1.121 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.726 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.08 -56.62 5.74 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 112.783 -1.708 . . . . 10.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -67.69 162.25 24.12 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.228 -1.805 . . . . 10.0 114.683 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.414 ' O ' HD12 ' A' ' 51' ' ' ILE . 30.6 ttp -155.6 73.39 0.84 Allowed 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.89 2.619 . . . . 10.0 113.823 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.8 mt -56.04 147.0 4.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-O 123.339 1.542 . . . . 10.0 110.115 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 49' ' ' MET . 0.7 OUTLIER -125.33 121.96 61.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-N 110.877 -2.874 . . . . 10.0 110.183 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -122.77 106.67 11.12 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 123.937 1.827 . . . . 10.0 114.502 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 m -94.35 96.32 9.46 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.41 -2.177 . . . . 10.0 108.434 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -91.85 93.23 8.73 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 128.009 3.318 . . . . 10.0 113.77 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.19 141.56 51.84 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 127.386 2.929 . . . . 10.0 107.689 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -78.34 -2.34 37.67 Favored 'General case' 0 CA--C 1.495 -1.153 0 O-C-N 127.016 2.697 . . . . 10.0 114.2 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -54.41 3.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.552 -1.204 . . . . 10.0 107.952 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -144.83 120.16 10.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 111.273 -2.694 . . . . 10.0 111.687 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -82.03 138.99 34.75 Favored 'General case' 0 CA--C 1.505 -0.77 0 O-C-N 124.677 1.236 . . . . 10.0 108.997 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.455 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 25.7 t80 -147.11 136.51 22.72 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 124.568 2.128 . . . . 10.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.35 144.06 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 111.273 -2.694 . . . . 10.0 113.558 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.83 152.56 30.82 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 125.673 1.858 . . . . 10.0 111.36 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -114.34 94.16 4.67 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 127.333 2.896 . . . . 10.0 113.17 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -80.76 119.67 23.65 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -107.81 112.2 24.73 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 127.886 3.241 . . . . 10.0 107.609 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG11 ' CE3' ' A' ' 88' ' ' TRP . 22.4 t -65.24 118.03 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.87 0 CA-C-N 113.177 -1.829 . . . . 10.0 114.527 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.21 -29.29 12.83 Favored Glycine 0 CA--C 1.501 -0.801 0 CA-C-N 112.845 -1.98 . . . . 10.0 114.889 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.38 170.03 16.93 Favored 'General case' 0 CA--C 1.497 -1.089 0 O-C-N 125.934 1.608 . . . . 10.0 114.269 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -108.83 115.14 29.52 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 112.652 -2.067 . . . . 10.0 112.652 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.92 161.03 38.56 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 113.325 -1.761 . . . . 10.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -96.34 152.6 18.44 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 124.417 2.056 . . . . 10.0 111.778 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.3 145.83 46.7 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 109.804 -3.362 . . . . 10.0 109.489 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 74' ' ' LEU . 3.1 t0 -121.41 116.92 25.65 Favored 'General case' 0 CA--C 1.504 -0.815 1 O-C-N 129.604 4.315 . . . . 10.0 114.16 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.1 mm? -105.53 47.53 0.87 Allowed 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 122.687 1.232 . . . . 10.0 109.192 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -78.99 124.13 27.96 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 111.811 -2.45 . . . . 10.0 107.127 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.94 30.81 Favored Glycine 0 C--O 1.208 -1.476 0 C-N-CA 118.186 -1.959 . . . . 10.0 108.705 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 78' ' ' ASP . 3.7 mp -105.4 -86.55 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 O-C-N 126.544 1.967 . . . . 10.0 109.091 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 77' ' ' ILE . 12.3 t70 -129.44 4.46 5.14 Favored 'General case' 0 CA--C 1.494 -1.177 0 O-C-N 126.047 2.092 . . . . 10.0 113.752 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 56.07 40.24 30.28 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.905 2.288 . . . . 10.0 107.389 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -50.82 10.77 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 109.243 -3.617 . . . . 10.0 114.3 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? 25.43 105.79 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 128.753 3.783 . . . . 10.0 115.706 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.6 m -139.07 170.91 15.11 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.594 -2.548 . . . . 10.0 113.727 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.02 157.08 19.61 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 110.574 -3.012 . . . . 10.0 108.554 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 m -150.95 136.14 17.61 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.868 1.98 . . . . 10.0 110.634 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.32 106.03 6.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 126.097 2.123 . . . . 10.0 114.133 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.0 t -82.39 131.18 34.38 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 O-C-N 127.34 2.9 . . . . 10.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -128.03 119.72 26.01 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 111.735 -2.484 . . . . 10.0 110.439 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.413 ' CE3' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -89.09 111.35 22.08 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.516 -0.765 . . . . 10.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -6.45 21.55 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 113.936 -1.483 . . . . 10.0 113.621 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.46 129.15 6.47 Favored Glycine 0 N--CA 1.465 0.568 0 C-N-CA 117.815 -2.136 . . . . 10.0 111.751 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 53.26 25.91 4.78 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.723 -2.239 . . . . 10.0 113.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt 173.36 134.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 112.155 -2.293 . . . . 10.0 109.609 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 tp -112.99 117.77 32.98 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.595 -2.548 . . . . 10.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.41 142.27 33.05 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-O 123.044 1.402 . . . . 10.0 111.712 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.1 t -138.19 96.34 3.17 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 110.874 -2.876 . . . . 10.0 111.879 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 97' ' ' GLN . 3.9 t -103.09 148.17 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 126.926 2.641 . . . . 10.0 112.435 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' ' CG1' ' A' ' 96' ' ' VAL . 5.8 mt-30 -115.04 133.52 55.97 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 126.898 2.624 . . . . 10.0 108.836 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -99.46 63.22 1.26 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 127.264 2.853 . . . . 10.0 109.997 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.65 -124.67 3.88 Favored Glycine 0 C--O 1.212 -1.226 0 CA-C-N 112.293 -2.23 . . . . 10.0 113.6 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.73 -48.66 2.02 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 111.198 -2.501 . . . . 10.0 114.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 165.42 0.14 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 127.96 3.287 . . . . 10.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -121.38 124.97 45.83 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 127.561 3.038 . . . . 10.0 114.068 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.93 7.2 59.98 Favored Glycine 0 C--O 1.209 -1.455 0 O-C-N 125.189 1.556 . . . . 10.0 109.804 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.13 164.2 25.89 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.017 -2.091 . . . . 10.0 109.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 106.9 140.69 9.81 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 110.424 -1.07 . . . . 10.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.93 167.03 10.85 Favored 'General case' 0 CA--C 1.494 -1.181 0 O-C-N 126.125 1.721 . . . . 10.0 111.786 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 107' ' ' THR . 0.9 OUTLIER -141.63 112.46 7.25 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.26 -1.791 . . . . 10.0 110.072 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.408 ' HG3' HD13 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -89.94 168.07 12.31 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.501 -2.136 . . . . 10.0 114.344 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.5 140.96 0.12 Allowed 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 126.377 2.298 . . . . 10.0 111.92 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.563 HG12 HD12 ' A' ' 115' ' ' LEU . 72.4 mt -115.63 136.22 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 O-C-N 127.432 2.958 . . . . 10.0 108.546 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.7 12.47 17.13 Favored 'General case' 0 CA--C 1.495 -1.145 0 O-C-N 127.2 2.812 . . . . 10.0 115.182 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.99 -95.26 0.43 Allowed Glycine 0 C--O 1.209 -1.412 0 CA-C-O 123.553 1.641 . . . . 10.0 111.847 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.5 34.69 3.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 113.239 -1.48 . . . . 10.0 110.615 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -163.46 118.52 1.65 Allowed 'General case' 0 C--O 1.21 -0.981 0 O-C-N 127.176 2.798 . . . . 10.0 111.954 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.563 HD12 HG12 ' A' ' 110' ' ' ILE . 0.7 OUTLIER -97.85 98.42 9.81 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-O 125.069 2.366 . . . . 10.0 113.678 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 157.67 26.71 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 110.691 -2.959 . . . . 10.0 112.869 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 108' ' ' GLN . 40.0 tp -149.93 131.47 14.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.547 2.405 . . . . 10.0 108.922 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.54 90.81 3.43 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 125.967 2.042 . . . . 10.0 111.595 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 12.9 mtt -85.68 151.89 23.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.399 -1.728 . . . . 10.0 111.422 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -149.32 152.62 36.17 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 112.625 -2.08 . . . . 10.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -178.54 123.83 0.1 Allowed 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 127.128 2.767 . . . . 10.0 109.627 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.62 40.7 20.23 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-O 125.698 2.666 . . . . 10.0 114.534 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.42 1.81 71.85 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 113.019 -1.9 . . . . 10.0 113.78 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.417 HG13 ' OE2' ' A' ' 18' ' ' GLU . 14.4 t -96.48 107.75 20.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 O-C-N 126.816 2.127 . . . . 10.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.08 148.32 24.53 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 113.399 -1.728 . . . . 10.0 112.871 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.1 t -156.11 133.91 11.12 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 123.029 1.395 . . . . 10.0 113.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -124.27 123.49 40.36 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 124.741 2.21 . . . . 10.0 112.738 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -105.71 167.84 9.5 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 112.146 -2.297 . . . . 10.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.49 HG12 HD23 ' A' ' 11' ' ' LEU . 2.3 t -129.17 129.59 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 125.57 1.794 . . . . 10.0 112.214 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -123.73 156.55 35.8 Favored 'General case' 0 CA--C 1.502 -0.893 0 O-C-N 125.451 1.719 . . . . 10.0 109.744 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.726 ' HB2' HD21 ' A' ' 11' ' ' LEU . 20.3 tptm -133.16 109.74 9.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 134' ' ' HIS . 1.2 ttmm -55.68 130.89 45.0 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-O 123.432 1.587 . . . . 10.0 114.183 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.56 -11.14 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 110.804 -2.907 . . . . 10.0 114.019 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.526 ' CE1' ' HD3' ' A' ' 132' ' ' LYS . 5.3 m-70 . . . . . 0 C--O 1.249 1.061 0 O-C-N 127.499 2.999 . . . . 10.0 111.559 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.711 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo . . . . . 0 N--CA 1.493 1.482 0 N-CA-C 114.624 0.971 . . . . 10.0 114.624 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.6 t -109.35 -27.92 2.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -20.76 113.12 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 128.502 3.626 . . . . 10.0 115.312 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 93' ' ' LEU . 1.5 m-85 -94.47 -37.89 11.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.247 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.99 109.73 0.32 Allowed 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 128.054 3.346 . . . . 10.0 109.808 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.43 39.03 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 126.122 2.139 . . . . 10.0 113.92 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 41' ' ' GLU . 12.3 m-85 -114.49 100.87 8.62 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 124.518 2.104 . . . . 10.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.721 ' CD2' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -102.9 120.85 41.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.152 -2.749 . . . . 10.0 113.361 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.97 154.12 18.32 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 113.434 -1.712 . . . . 10.0 108.488 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.461 ' HE3' ' HB3' ' A' ' 13' ' ' ASN . 2.0 ttp -99.79 141.02 33.16 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 127.207 2.817 . . . . 10.0 108.237 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.94 -53.34 2.66 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.656 -2.975 . . . . 10.0 113.159 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -168.14 126.79 1.2 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 111.678 -2.51 . . . . 10.0 113.41 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 16' ' ' PHE . 7.7 p30 -94.82 171.92 8.48 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.173 -2.285 . . . . 10.0 112.876 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -138.51 134.09 33.48 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 128.304 3.503 . . . . 10.0 109.628 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.58 22.07 6.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 125.781 1.926 . . . . 10.0 109.633 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CG ' ' ND2' ' A' ' 13' ' ' ASN . 10.3 t80 -61.34 -51.17 69.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.43 -1.714 . . . . 10.0 113.091 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.19 -25.55 64.39 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 125.051 2.358 . . . . 10.0 112.989 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -25.97 42.71 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 108.972 -3.74 . . . . 10.0 112.43 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -75.49 -29.03 59.43 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 126.167 2.889 . . . . 10.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD21 ' C18' ' A' ' 135' ' ' RTL . 13.3 mt -73.76 -44.09 57.12 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 124.895 2.283 . . . . 10.0 112.202 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -62.1 -25.58 67.8 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 112.237 -2.256 . . . . 10.0 113.509 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.47 73.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 112.063 -2.335 . . . . 10.0 115.064 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.19 11.21 39.91 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 113.394 -1.73 . . . . 10.0 112.213 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.57 41.98 24.88 Favored 'General case' 0 CA--C 1.505 -0.768 0 O-C-N 128.485 3.616 . . . . 10.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.432 ' CG2' ' CB ' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -81.34 151.74 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.742 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.564 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -47.73 143.66 3.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 123.765 1.745 . . . . 10.0 112.275 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.91 -31.47 50.7 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-O 125.083 2.373 . . . . 10.0 110.383 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.39 75.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 112.1 -2.318 . . . . 10.0 112.968 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 32' ' ' ILE . 19.3 tp -65.53 -30.54 71.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.621 -1.627 . . . . 10.0 114.342 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.5 OUTLIER -72.58 -30.02 64.03 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.347 -2.661 . . . . 10.0 109.343 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.46 67.54 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 112.46 -2.155 . . . . 10.0 109.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 29' ' ' LEU . 9.5 mt -77.19 -48.96 23.8 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.152 0 O-C-N 125.74 1.9 . . . . 10.0 109.731 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.46 -23.94 52.81 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 124.487 2.089 . . . . 10.0 115.12 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -73.79 -23.42 59.69 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 110.061 -3.245 . . . . 10.0 114.569 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.49 -4.52 48.0 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 112.624 -2.08 . . . . 10.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 57' ' ' PHE . 35.0 mt -107.24 172.47 6.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 112.917 -1.947 . . . . 10.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.25 69.44 0.03 OUTLIER Pre-proline 0 CA--C 1.503 -0.865 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -60.45 168.19 6.91 Favored 'Trans proline' 0 CA--C 1.501 -1.134 0 CA-C-O 126.13 2.471 . . . . 10.0 114.941 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -109.99 149.24 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 110.409 -3.087 . . . . 10.0 107.944 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 138.44 50.85 Favored 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.076 2.11 . . . . 10.0 114.474 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 7' ' ' TYR . 20.0 tt0 -120.63 110.18 16.11 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 124.709 2.195 . . . . 10.0 110.358 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.722 HD12 ' N ' ' A' ' 42' ' ' ILE . 4.7 mp -99.45 146.72 8.15 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-N 110.605 -2.998 . . . . 10.0 112.95 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -146.44 78.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.481 -3.054 . . . . 10.0 110.013 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -55.77 168.35 0.45 Allowed 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 122.785 1.279 . . . . 10.0 113.257 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -149.45 154.38 38.74 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 109.134 -3.666 . . . . 10.0 108.191 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.46 106.27 1.01 Allowed Glycine 0 C--O 1.216 -1.002 0 CA-C-N 111.694 -2.503 . . . . 10.0 113.182 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 86.74 -17.44 0.36 Allowed 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 129.677 3.81 . . . . 10.0 113.739 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -114.36 -166.47 1.11 Allowed 'General case' 0 CA--C 1.5 -0.958 0 O-C-N 125.082 1.489 . . . . 10.0 109.233 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -171.57 133.67 0.8 Allowed 'General case' 0 C--O 1.212 -0.886 0 CA-C-O 123.055 1.407 . . . . 10.0 109.608 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.3 mt -126.03 134.26 66.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 CA-C-N 111.357 -2.656 . . . . 10.0 110.626 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mt -122.12 135.85 60.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 O-C-N 127.766 3.166 . . . . 10.0 110.227 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.2 111.91 19.44 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 113.235 -1.802 . . . . 10.0 108.487 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 54.9 m -101.36 113.9 27.39 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 109.006 -3.725 . . . . 10.0 108.191 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mt -104.45 114.14 28.16 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 127.881 3.238 . . . . 10.0 112.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 130.79 14.6 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 128.867 3.854 . . . . 10.0 108.834 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.79 -24.11 8.22 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 113.471 -1.695 . . . . 10.0 109.982 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 36' ' ' LEU . 34.2 m-85 -91.74 -20.3 21.69 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 124.59 1.181 . . . . 10.0 114.026 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 59' ' ' ASN . 23.3 ttm105 -169.12 149.53 4.24 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 124.974 2.321 . . . . 10.0 113.256 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -123.95 98.7 5.92 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 111.754 -2.475 . . . . 10.0 109.331 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.463 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 10.9 t80 -100.66 114.45 28.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 113.567 -1.651 . . . . 10.0 113.907 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.58 136.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 126.678 2.486 . . . . 10.0 109.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.2 mmm -150.87 154.28 36.92 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.81 -2.904 . . . . 10.0 111.462 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 3.5 p-10 -119.3 94.12 4.32 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 112.978 -1.919 . . . . 10.0 111.794 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -75.52 156.3 35.27 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 112.208 -2.269 . . . . 10.0 112.77 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -129.88 104.48 7.4 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 124.492 2.091 . . . . 10.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.46 123.59 23.45 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 CA-C-N 111.466 -2.606 . . . . 10.0 113.674 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.0 -20.55 43.01 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 111.983 -2.371 . . . . 10.0 112.069 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.26 153.72 30.39 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 123.966 1.841 . . . . 10.0 113.68 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -87.2 141.19 28.83 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 111.559 -2.564 . . . . 10.0 111.822 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -152.29 175.38 12.71 Favored 'General case' 0 CA--C 1.511 -0.519 0 O-C-N 126.63 2.456 . . . . 10.0 112.95 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.75 119.99 26.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.328 -2.214 . . . . 10.0 109.848 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.81 89.8 3.79 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 126.203 2.906 . . . . 10.0 113.758 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.44 107.41 1.36 Allowed 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 109.978 -3.283 . . . . 10.0 112.736 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.495 ' CD1' HD13 ' A' ' 77' ' ' ILE . 7.1 tp -105.93 39.74 1.72 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 124.453 2.073 . . . . 10.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.612 HG23 ' OD2' ' A' ' 79' ' ' ASP . 38.5 m -83.73 1.7 41.42 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.365 -1.743 . . . . 10.0 112.068 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NE ' ' A' ' 58' ' ' ARG . . . -92.41 -9.15 61.98 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 113.607 -1.633 . . . . 10.0 110.608 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.508 HG23 H183 ' A' ' 135' ' ' RTL . 3.7 mp -119.61 -66.55 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 127.288 2.405 . . . . 10.0 110.216 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.432 ' CB ' ' CG2' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -123.43 -38.16 2.58 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.451 1.719 . . . . 10.0 114.959 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 75' ' ' THR . 31.7 t0 85.76 93.92 0.03 OUTLIER 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 124.659 2.171 . . . . 10.0 113.404 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -123.31 -55.27 1.76 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.11 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.93 111.11 0.06 Allowed 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 125.564 1.79 . . . . 10.0 113.3 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 -175.46 4.45 Favored 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 117.667 -1.613 . . . . 10.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.2 mtt -98.45 117.13 32.19 Favored 'General case' 0 CA--C 1.506 -0.75 0 O-C-N 126.815 2.572 . . . . 10.0 108.361 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.9 m -121.2 144.68 48.46 Favored 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 128.943 3.902 . . . . 10.0 114.381 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.6 137.84 48.57 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 110.41 -3.087 . . . . 10.0 108.784 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.13 135.62 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-N 112.561 -2.109 . . . . 10.0 109.87 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 m -126.71 136.65 52.73 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 111.757 -2.474 . . . . 10.0 113.91 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -84.7 81.12 9.01 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 127.682 3.114 . . . . 10.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.76 80.98 4.2 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.544 -3.026 . . . . 10.0 111.976 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.68 -123.05 6.26 Favored Glycine 0 C--O 1.216 -0.982 0 O-C-N 127.622 3.076 . . . . 10.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.88 11.63 31.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.349 -1.926 . . . . 10.0 111.363 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.52 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 21.2 mtmm -128.04 148.03 50.53 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 125.982 2.051 . . . . 10.0 110.348 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' A' ' 4' ' ' PHE . 6.3 tp -93.93 117.06 29.58 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.59 124.6 43.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.103 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.69 161.44 29.69 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.266 2.229 . . . . 10.0 111.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 97' ' ' GLN . 7.4 p -144.92 155.15 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-N 111.906 -2.406 . . . . 10.0 111.782 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' N ' HG22 ' A' ' 96' ' ' VAL . 28.5 mt-30 -131.33 140.51 49.75 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.749 0.656 . . . . 10.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -107.8 69.91 0.75 Allowed 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 128.288 3.492 . . . . 10.0 111.499 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -136.85 70.96 0.48 Allowed Glycine 0 C--N 1.352 1.447 0 CA-C-N 112.702 -2.044 . . . . 10.0 114.509 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 53.47 -169.52 0.05 Allowed 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 124.476 0.751 . . . . 10.0 111.324 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.64 179.15 0.08 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -141.09 120.07 12.75 Favored 'General case' 0 CA--C 1.498 -1.019 0 C-N-CA 118.806 -1.157 . . . . 10.0 111.697 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.2 -3.19 16.38 Favored Glycine 0 C--O 1.211 -1.343 0 CA-C-N 114.395 -1.275 . . . . 10.0 112.065 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.575 ' H ' ' NE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -62.77 131.22 48.13 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 124.733 2.206 . . . . 10.0 108.151 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 148.71 138.31 2.97 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 111.031 -2.804 . . . . 10.0 112.077 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -117.45 159.78 22.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 126.831 2.136 . . . . 10.0 110.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.4 m -149.87 141.73 23.76 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 111.503 -2.589 . . . . 10.0 109.391 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.69 161.21 32.14 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 128.188 3.43 . . . . 10.0 112.51 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.52 ' CE3' ' HD3' ' A' ' 92' ' ' LYS . 16.2 t-105 -168.62 136.28 2.04 Favored 'General case' 0 N--CA 1.468 0.449 1 O-C-N 129.332 4.145 . . . . 10.0 110.238 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.89 136.06 48.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 128.1 3.375 . . . . 10.0 113.223 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.18 -46.94 11.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 112.293 -2.23 . . . . 10.0 112.214 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.47 52.09 0.16 Allowed Glycine 0 C--O 1.213 -1.192 0 O-C-N 127.259 2.849 . . . . 10.0 110.829 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 159.38 -33.38 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 112.191 -2.004 . . . . 10.0 112.7 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.72 137.87 35.5 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 127.832 3.207 . . . . 10.0 110.637 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -95.54 133.13 39.91 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.773 -2.012 . . . . 10.0 111.239 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -121.98 100.55 7.04 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 110.502 -3.044 . . . . 10.0 112.114 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 128' ' ' GLN . 1.3 tp -103.15 146.65 28.08 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 124.632 2.158 . . . . 10.0 109.842 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.06 100.32 5.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.119 -2.31 . . . . 10.0 111.965 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.571 ' HE3' H191 ' A' ' 135' ' ' RTL . 9.3 mtt -88.1 146.56 25.37 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.718 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -138.7 153.4 48.52 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 114.272 -1.331 . . . . 10.0 112.972 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 175.78 138.55 0.05 Allowed 'General case' 0 C--O 1.209 -1.039 0 O-C-N 123.831 0.707 . . . . 10.0 112.183 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.32 20.35 4.59 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 125.584 1.802 . . . . 10.0 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.88 19.19 58.29 Favored Glycine 0 N--CA 1.473 1.134 0 CA-C-O 123.004 1.335 . . . . 10.0 111.736 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 44.4 t -107.21 143.82 17.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 114.332 -0.934 . . . . 10.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 98.7 m -122.46 103.36 8.66 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 124.828 1.33 . . . . 10.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -114.68 121.31 42.98 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 125.778 1.924 . . . . 10.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -109.83 141.5 42.42 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 126.91 2.631 . . . . 10.0 109.587 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.496 ' HB2' HD23 ' A' ' 117' ' ' LEU . 17.5 mt-30 -121.56 114.56 21.38 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 111.853 -2.431 . . . . 10.0 111.29 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.78 125.47 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 127.224 2.827 . . . . 10.0 113.234 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.483 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 39.7 m-85 -113.93 165.07 12.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 114.998 -1.001 . . . . 10.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -144.1 95.86 2.79 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.939 -1.482 . . . . 10.0 114.096 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -49.8 126.21 13.45 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.031 -1.895 . . . . 10.0 113.473 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.4 t -103.01 -15.81 7.79 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 O-C-N 124.868 1.355 . . . . 10.0 113.494 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 C--O 1.257 1.468 0 O-C-N 125.307 1.629 . . . . 10.0 112.946 -179.821 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.736 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 N--CA 1.508 2.38 0 CA-C-O 122.526 0.969 . . . . 10.0 112.556 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -125.98 108.45 19.42 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 CA-C-N 111.822 -2.444 . . . . 10.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -102.07 112.03 24.53 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-N 112.607 -2.088 . . . . 10.0 109.079 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -78.32 -8.1 58.02 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 127.302 2.876 . . . . 10.0 113.993 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -66.54 129.65 40.56 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 118.669 -1.212 . . . . 10.0 112.526 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.82 -173.27 22.69 Favored Glycine 0 C--O 1.21 -1.362 0 O-C-N 126.735 2.522 . . . . 10.0 108.785 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 41' ' ' GLU . 3.3 m-85 -103.41 149.75 24.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 128.599 3.176 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.71 ' CE3' HD12 ' A' ' 115' ' ' LEU . 1.7 m95 -148.88 115.1 5.81 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 126.553 2.408 . . . . 10.0 111.571 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -97.33 161.55 13.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 127.338 2.899 . . . . 10.0 108.367 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.436 ' HE3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.87 127.9 44.92 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.772 3.17 . . . . 10.0 109.781 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 11' ' ' LEU . 1.1 mm? -85.69 -67.75 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 O-C-N 125.646 1.841 . . . . 10.0 111.299 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 p -147.37 172.35 14.04 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.954 -2.839 . . . . 10.0 111.22 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -123.54 -176.48 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 125.156 1.535 . . . . 10.0 109.984 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.28 -45.74 0.63 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 113.907 1.077 . . . . 10.0 113.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.75 39.41 1.14 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 126.246 2.927 . . . . 10.0 113.012 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.624 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 27.2 t80 -69.07 -29.73 67.9 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 112.119 -2.309 . . . . 10.0 113.294 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.88 -38.76 64.3 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.012 -1.449 . . . . 10.0 114.166 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.35 -26.84 62.99 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.686 -1.143 . . . . 10.0 111.97 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.581 ' HA ' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -70.82 -36.59 73.0 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 127.611 3.069 . . . . 10.0 112.293 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 20' ' ' LEU . 24.6 mt -67.9 -23.49 65.11 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 110.773 -2.921 . . . . 10.0 114.953 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -71.86 -26.87 62.53 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.033 -1.439 . . . . 10.0 112.729 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.15 92.87 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 127.46 2.975 . . . . 10.0 115.017 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.29 1.57 57.01 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 126.766 2.541 . . . . 10.0 112.507 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.01 48.45 10.78 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.983 -2.372 . . . . 10.0 112.566 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.77 129.75 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 113.159 -1.837 . . . . 10.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 1.7 m120 -49.59 158.0 0.49 Allowed 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 122.338 1.066 . . . . 10.0 112.6 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.62 -23.36 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 113.084 -1.871 . . . . 10.0 112.852 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.28 72.95 Favored 'General case' 0 CA--C 1.499 -0.997 0 O-C-N 126.224 2.202 . . . . 10.0 112.394 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD2' ' H42' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -74.92 -30.63 61.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.852 -1.522 . . . . 10.0 111.812 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -77.78 -24.53 48.89 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 125.317 2.484 . . . . 10.0 114.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -36.48 63.16 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 110.502 -3.045 . . . . 10.0 108.535 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -42.33 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.875 0 CA-C-N 109.031 -3.713 . . . . 10.0 111.445 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.624 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -59.6 -35.72 74.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 113.697 -1.592 . . . . 10.0 115.222 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.15 -22.87 64.83 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 122.525 1.155 . . . . 10.0 114.095 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -112.43 20.44 16.67 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 123.562 1.649 . . . . 10.0 113.351 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 HD12 H161 ' A' ' 135' ' ' RTL . 0.2 OUTLIER -91.74 -75.76 0.47 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.509 -2.132 . . . . 10.0 113.234 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 49.07 72.29 1.31 Allowed Pre-proline 0 C--O 1.208 -1.125 0 CA-C-O 125.578 2.609 . . . . 10.0 108.0 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' HE3' ' A' ' 10' ' ' MET . 11.8 Cg_exo -61.55 152.37 73.85 Favored 'Trans proline' 0 CA--C 1.499 -1.251 0 CA-C-N 111.508 -1.997 . . . . 10.0 114.849 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -107.78 88.21 2.68 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 127.606 3.066 . . . . 10.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.11 155.33 24.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -139.39 110.21 6.76 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.872 -2.877 . . . . 10.0 107.792 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.3 mt -108.8 134.79 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 O-C-N 128.45 3.594 . . . . 10.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.75 102.81 3.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 111.64 -2.527 . . . . 10.0 112.834 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.39 145.29 32.08 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.98 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -158.87 90.36 0.99 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.133 -2.303 . . . . 10.0 114.284 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.66 -109.81 2.89 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 110.568 -3.014 . . . . 10.0 111.446 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.61 0.01 41.25 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 119.647 -0.821 . . . . 10.0 109.861 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -98.29 157.83 15.94 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.758 1.911 . . . . 10.0 110.705 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -150.89 79.92 1.32 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-O 123.687 1.708 . . . . 10.0 108.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.8 mt -70.21 140.22 18.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-O 124.441 2.067 . . . . 10.0 111.065 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 51' ' ' ILE . 1.9 mt -134.84 122.21 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 112.703 -2.044 . . . . 10.0 111.563 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -108.64 172.93 6.56 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 123.827 1.775 . . . . 10.0 109.917 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 60' ' ' TYR . 11.4 m -153.82 105.16 2.75 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.616 -2.993 . . . . 10.0 110.991 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 mt -107.04 126.35 52.22 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 110.924 -2.853 . . . . 10.0 111.781 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -139.75 -46.68 0.45 Allowed 'General case' 0 C--O 1.208 -1.107 0 O-C-N 127.78 3.175 . . . . 10.0 112.825 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 55' ' ' SER . 5.4 t 117.34 -7.75 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.746 1 O-C-N 130.726 5.016 . . . . 10.0 109.966 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -96.74 -58.18 2.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 110.965 -2.834 . . . . 10.0 108.341 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.466 ' HB3' H173 ' A' ' 135' ' ' RTL . 0.1 OUTLIER -131.99 130.91 42.04 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 108.913 -3.767 . . . . 10.0 110.772 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -103.04 95.33 6.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.39 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.462 ' CB ' ' HB ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -97.33 138.8 34.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 112.842 -1.981 . . . . 10.0 112.817 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.3 mp -142.48 126.07 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 CA-C-N 109.735 -3.393 . . . . 10.0 109.53 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -143.55 104.69 4.25 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 127.586 3.054 . . . . 10.0 113.197 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 77.48 1.64 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.173 -1.83 . . . . 10.0 108.213 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.713 ' CE1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.36 114.73 9.74 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 112.031 -2.35 . . . . 10.0 112.517 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.39 135.01 42.49 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 126.079 2.112 . . . . 10.0 111.997 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.4 130.94 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 124.471 1.107 . . . . 10.0 112.436 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.19 87.08 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-O 124.537 2.187 . . . . 10.0 114.357 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.14 138.96 54.36 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.238 -1.981 . . . . 10.0 113.398 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -106.61 145.98 31.26 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 125.811 1.944 . . . . 10.0 113.335 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -154.32 177.93 10.59 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 111.817 -2.447 . . . . 10.0 109.17 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -83.53 145.7 28.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 124.33 2.014 . . . . 10.0 108.513 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -123.37 80.35 1.77 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 109.699 -3.409 . . . . 10.0 109.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.69 94.22 0.12 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.081 -3.236 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 74' ' ' LEU . 3.5 tp -111.75 46.64 1.11 Allowed 'General case' 0 C--O 1.208 -1.117 0 O-C-N 127.86 3.225 . . . . 10.0 107.873 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 11.3 t -95.85 17.53 15.03 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 109.499 -3.5 . . . . 10.0 113.943 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 77' ' ' ILE . . . -124.91 0.25 8.37 Favored Glycine 0 C--O 1.222 -0.634 0 CA-C-N 112.64 -2.073 . . . . 10.0 112.914 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 77' ' ' ILE . 2.3 mp -108.09 -60.65 2.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-O 125.285 2.469 . . . . 10.0 106.977 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 23.4 p-10 -125.16 4.05 7.87 Favored 'General case' 0 C--O 1.213 -0.852 1 CA-C-N 108.399 -4.001 . . . . 10.0 112.724 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 3.7 m-20 71.45 38.96 0.96 Allowed 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 126.223 2.202 . . . . 10.0 114.891 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.08 -172.15 2.62 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 121.938 0.875 . . . . 10.0 112.807 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.25 153.46 25.64 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.643 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.39 162.38 3.54 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.242 2.214 . . . . 10.0 113.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.8 mtt -88.61 126.99 35.55 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 111.867 -2.424 . . . . 10.0 112.299 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 m -121.9 146.55 47.01 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 125.427 1.704 . . . . 10.0 113.868 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.2 173.14 11.8 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 111.569 -2.559 . . . . 10.0 109.543 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.713 HG23 ' CE1' ' A' ' 64' ' ' PHE . 15.9 t -142.87 129.78 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 125.24 2.448 . . . . 10.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.8 p -135.01 101.48 4.9 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 111.36 -2.655 . . . . 10.0 113.865 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -74.08 149.64 41.0 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 124.359 2.028 . . . . 10.0 111.664 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -102.54 -54.76 2.59 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 113.657 -1.61 . . . . 10.0 109.304 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.46 98.24 0.25 Allowed Glycine 0 C--O 1.211 -1.289 0 CA-C-O 118.049 -1.417 . . . . 10.0 110.966 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 t70 106.5 -11.9 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.75 1 O-C-N 130.469 4.276 . . . . 10.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -132.68 -179.69 5.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 126.818 2.574 . . . . 10.0 108.947 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 tp -147.7 126.72 12.82 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 127.241 2.838 . . . . 10.0 113.282 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -119.47 140.63 50.15 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.578 -1.646 . . . . 10.0 113.363 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.3 t -136.09 98.56 3.9 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 124.904 1.377 . . . . 10.0 109.728 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -96.16 146.45 7.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 1 O-C-N 129.4 4.188 . . . . 10.0 114.003 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.87 124.95 47.31 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 110.387 -3.097 . . . . 10.0 108.935 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -58.87 -53.14 61.71 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 126.331 2.269 . . . . 10.0 110.591 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 38.42 -153.93 0.02 OUTLIER Glycine 0 C--N 1.348 1.222 0 O-C-N 126.902 2.626 . . . . 10.0 114.421 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . 0.255 38.4 mm-40 -135.3 21.87 3.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 111.26 -2.47 . . . . 10.0 108.938 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.43 -165.24 0.98 Allowed 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 126.309 2.256 . . . . 10.0 111.763 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.87 109.54 7.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 112.358 -2.201 . . . . 10.0 111.766 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.62 -18.88 22.18 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 110.743 -2.935 . . . . 10.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.47 148.66 6.61 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.682 2.048 . . . . 10.0 109.721 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.57 112.34 3.17 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-N 109.621 -3.445 . . . . 10.0 107.476 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.472 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -88.06 138.38 31.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 123.386 1.565 . . . . 10.0 115.062 -179.366 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.27 144.48 31.29 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 109.704 -3.407 . . . . 10.0 107.111 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.41 ' NE2' HD22 ' A' ' 115' ' ' LEU . 7.7 tt0 -149.18 165.8 30.75 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 126.943 3.259 . . . . 10.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -163.29 157.23 19.96 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 110.217 -3.174 . . . . 10.0 110.487 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -115.73 148.2 18.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 CA-C-N 114.187 -1.37 . . . . 10.0 114.55 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.63 -137.48 0.33 Allowed 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 113.324 -1.762 . . . . 10.0 110.223 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.12 -102.12 0.01 OUTLIER Glycine 0 C--O 1.21 -1.347 0 CA-C-O 126.187 3.104 . . . . 10.0 113.668 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -112.73 34.47 4.37 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.351 -1.924 . . . . 10.0 113.351 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.83 165.76 26.63 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 112.291 -2.231 . . . . 10.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.71 HD12 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -125.62 134.56 51.85 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 125.937 2.023 . . . . 10.0 109.488 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -138.56 132.64 31.42 Favored 'General case' 0 CA--C 1.503 -0.862 0 O-C-N 125.93 2.019 . . . . 10.0 111.927 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -137.67 155.97 48.55 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 126.367 2.292 . . . . 10.0 109.797 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -114.48 88.98 2.98 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 111.36 -2.654 . . . . 10.0 109.44 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -72.83 129.06 37.32 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.473 -2.603 . . . . 10.0 111.988 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -131.66 158.1 41.99 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 126.14 2.15 . . . . 10.0 111.497 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' VAL . . . -179.34 130.92 0.11 Allowed 'General case' 0 N--CA 1.471 0.581 0 O-C-N 127.378 2.924 . . . . 10.0 113.053 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 46.82 39.27 7.06 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 126.803 2.564 . . . . 10.0 113.861 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.74 11.11 85.75 Favored Glycine 0 C--N 1.348 1.21 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.805 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' ' 19' ' ' TYR . 8.0 t -98.55 153.02 4.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-O 121.119 0.485 . . . . 10.0 110.542 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.8 m -133.73 121.7 22.3 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 114.525 -1.216 . . . . 10.0 113.349 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -133.05 124.21 27.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -105.29 105.06 14.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 125.032 2.349 . . . . 10.0 115.191 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.573 ' HG3' HD21 ' A' ' 117' ' ' LEU . 3.3 mt-30 -88.3 142.3 27.85 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 112.103 -2.317 . . . . 10.0 108.451 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.2 t -125.05 102.37 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 126.691 2.494 . . . . 10.0 112.09 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 1.9 m-30 -88.47 170.97 10.44 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 126.078 2.111 . . . . 10.0 108.4 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -148.79 134.72 19.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 113.272 -1.785 . . . . 10.0 110.28 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.536 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 2.4 tppp? -73.93 136.52 43.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 112.525 -2.125 . . . . 10.0 112.499 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.52 -37.27 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-N 111.604 -2.544 . . . . 10.0 113.252 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 115.361 -2.257 . . . . 10.0 109.222 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.558 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.492 1.42 0 CA-C-O 123.484 1.368 . . . . 10.0 111.352 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.26 131.43 40.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 CA-C-N 113.437 -1.71 . . . . 10.0 109.577 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.81 97.91 1.6 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.333 -1.758 . . . . 10.0 109.837 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 42' ' ' ILE . 52.0 m-85 -80.91 -36.22 31.41 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 126.887 2.617 . . . . 10.0 113.2 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.12 144.27 7.21 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 124.987 2.327 . . . . 10.0 113.278 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.63 -159.49 21.52 Favored Glycine 0 CA--C 1.505 -0.554 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.769 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -115.54 122.25 45.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 125.696 1.469 . . . . 10.0 113.038 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 4.1 m95 -125.8 120.71 31.27 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 114.208 1.188 . . . . 10.0 114.208 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -102.78 -174.81 2.64 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 128.156 3.41 . . . . 10.0 108.472 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.44 -177.19 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.793 1.308 . . . . 10.0 110.94 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 mt -152.69 -53.21 0.11 Allowed 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 125.038 2.351 . . . . 10.0 114.684 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -144.48 158.53 43.71 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 111.462 -2.608 . . . . 10.0 113.734 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 1.1 m120 -133.68 157.83 44.79 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 124.733 2.206 . . . . 10.0 110.472 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -157.22 120.6 4.1 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 111.421 -2.627 . . . . 10.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 79.98 3.64 2.0 Allowed 'General case' 0 C--O 1.211 -0.959 0 O-C-N 127.53 3.019 . . . . 10.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -66.15 -29.27 69.54 Favored 'General case' 0 C--O 1.208 -1.11 0 O-C-N 123.861 0.726 . . . . 10.0 112.86 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -78.35 -42.04 31.72 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 125.846 2.736 . . . . 10.0 108.909 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -70.44 -28.4 65.01 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 109.39 -3.55 . . . . 10.0 114.055 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.484 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.8 t80 -75.02 -24.34 58.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.633 -2.076 . . . . 10.0 111.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.6 mt -72.15 -27.99 62.96 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 125.817 2.722 . . . . 10.0 112.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -71.52 -24.97 62.06 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 111.46 -2.609 . . . . 10.0 109.921 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 19' ' ' TYR . . . -69.3 -38.4 78.26 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 128.358 3.536 . . . . 10.0 110.507 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -103.52 21.91 15.22 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 45.37 71.79 0.25 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 128.882 3.864 . . . . 10.0 112.876 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.0 143.79 13.76 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.075 0 CA-C-N 112.908 -1.951 . . . . 10.0 108.209 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -53.32 159.63 1.33 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 125.367 2.508 . . . . 10.0 111.801 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 t -73.66 -39.53 53.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 110.509 -3.041 . . . . 10.0 113.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -72.82 -30.16 63.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 113.615 -1.63 . . . . 10.0 112.661 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.404 HD21 ' H42' ' A' ' 135' ' ' RTL . 5.7 tt -76.16 -28.21 57.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.522 1.153 . . . . 10.0 111.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.82 -29.43 50.64 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 113.028 -1.897 . . . . 10.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.61 -39.12 70.67 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 112.994 -1.912 . . . . 10.0 110.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 28' ' ' ALA . 21.2 mt -77.64 -25.23 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 110.491 -3.049 . . . . 10.0 112.466 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.36 67.59 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.179 -1.373 . . . . 10.0 112.982 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -77.42 -27.49 52.28 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.547 -1.66 . . . . 10.0 111.793 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mt -104.02 42.65 1.16 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.233 0.613 . . . . 10.0 111.771 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.665 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -131.53 -72.16 0.55 Allowed 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 126.473 2.358 . . . . 10.0 111.758 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt 51.9 70.86 1.69 Allowed Pre-proline 0 C--O 1.208 -1.11 0 CA-C-N 114.068 -1.423 . . . . 10.0 112.382 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 22.9 Cg_endo -68.44 171.43 12.97 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 O-C-N 124.885 1.992 . . . . 10.0 113.629 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -119.44 134.46 55.21 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 110.088 -3.233 . . . . 10.0 108.853 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -98.63 141.24 31.7 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 127.32 2.887 . . . . 10.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.44 105.93 8.65 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 127.423 2.952 . . . . 10.0 108.069 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 4' ' ' PHE . 5.4 mt -100.6 144.44 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 C-N-CA 116.667 -2.013 . . . . 10.0 109.535 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.7 103.26 2.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.594 -1.639 . . . . 10.0 109.178 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -77.07 135.97 38.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 126.301 2.251 . . . . 10.0 109.428 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.11 49.21 1.95 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 124.922 2.296 . . . . 10.0 109.662 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.02 -91.71 0.53 Allowed Glycine 0 C--O 1.21 -1.351 0 CA-C-N 110.474 -3.057 . . . . 10.0 111.54 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.27 -54.82 11.1 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 123.055 1.407 . . . . 10.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -74.85 156.73 36.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.578 -2.101 . . . . 10.0 112.538 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.03 78.59 1.35 Allowed 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.703 -2.953 . . . . 10.0 109.054 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 62' ' ' MET . 3.6 mt -78.86 128.48 38.44 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 111.761 -2.472 . . . . 10.0 112.873 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.586 HD13 ' CE ' ' A' ' 62' ' ' MET . 4.0 mp -114.21 138.05 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 110.358 -3.11 . . . . 10.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -120.67 101.46 7.75 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 109.983 -3.28 . . . . 10.0 113.497 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.459 HG21 ' H10' ' A' ' 135' ' ' RTL . 33.4 m -89.07 86.47 6.91 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 114.381 -1.281 . . . . 10.0 109.274 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -79.34 96.01 5.87 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 125.812 1.945 . . . . 10.0 114.224 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -132.88 122.41 24.33 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.677 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.78 1.07 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 126.493 3.044 . . . . 10.0 114.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.665 ' HB2' HD21 ' A' ' 36' ' ' LEU . 5.6 t80 -82.25 -57.44 3.38 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 110.557 -3.02 . . . . 10.0 110.265 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.96 127.87 29.43 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 124.849 2.261 . . . . 10.0 113.512 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -99.01 86.1 3.39 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.458 -1.701 . . . . 10.0 111.689 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.95 130.25 36.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 126.898 2.624 . . . . 10.0 113.527 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' MET . 5.7 mt -136.85 152.59 28.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 126.177 2.173 . . . . 10.0 112.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.586 ' CE ' HD13 ' A' ' 51' ' ' ILE . 5.6 mtm -144.72 177.78 8.45 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 111.997 -2.365 . . . . 10.0 109.477 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -140.07 46.9 1.83 Allowed 'General case' 0 CA--C 1.502 -0.892 0 O-C-N 127.692 3.12 . . . . 10.0 109.144 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 70' ' ' PHE . 1.3 m-85 -45.7 105.81 0.07 Allowed 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 113.56 -1.655 . . . . 10.0 114.05 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 10.6 mt-30 -88.72 120.41 30.09 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 125.964 2.04 . . . . 10.0 108.372 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.92 110.44 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 114.653 1.353 . . . . 10.0 114.653 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.43 -15.05 57.79 Favored Glycine 0 C--O 1.214 -1.118 0 O-C-N 127.614 3.071 . . . . 10.0 111.793 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 5.3 tptt -98.28 150.45 21.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.368 -2.416 . . . . 10.0 111.757 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -98.54 119.64 37.6 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 111.406 -2.633 . . . . 10.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.497 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 18.0 p90 -136.97 153.59 50.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 123.957 0.903 . . . . 10.0 112.303 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -76.47 115.79 16.56 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 127.14 2.775 . . . . 10.0 112.553 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -105.35 117.94 35.3 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 126.004 2.065 . . . . 10.0 112.823 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.52 106.87 18.78 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 125.609 2.623 . . . . 10.0 110.934 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.3 mt -96.33 58.54 1.79 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 125.203 2.43 . . . . 10.0 108.83 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 t -101.88 141.28 34.97 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 110.809 -2.905 . . . . 10.0 107.238 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.81 -0.64 70.2 Favored Glycine 0 C--O 1.218 -0.901 0 N-CA-C 108.725 -1.75 . . . . 10.0 108.725 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -64.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 O-C-N 127.769 2.688 . . . . 10.0 107.561 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.96 11.66 1.6 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 109.773 -3.376 . . . . 10.0 114.017 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 t70 55.74 72.99 0.45 Allowed 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.08 147.57 5.59 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.295 -0.86 . . . . 10.0 109.445 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -129.13 143.0 50.71 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 126.309 2.256 . . . . 10.0 108.552 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.96 -178.56 7.39 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 114.94 -1.027 . . . . 10.0 109.203 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.1 mtt -98.18 126.97 43.87 Favored 'General case' 0 C--O 1.208 -1.125 0 O-C-N 125.496 1.748 . . . . 10.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 8.9 m -119.72 140.5 50.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 112.7 -2.045 . . . . 10.0 114.615 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 m -136.61 134.25 37.17 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.816 -1.993 . . . . 10.0 112.926 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.2 t -97.77 148.67 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 113.051 -1.886 . . . . 10.0 108.389 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.4 t -114.13 -44.37 3.14 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 125.072 1.483 . . . . 10.0 112.727 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 93' ' ' LEU . 8.4 t90 70.93 94.03 0.08 Allowed 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.487 2.367 . . . . 10.0 112.049 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.83 107.36 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 113.331 -1.759 . . . . 10.0 107.84 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -40.77 94.16 0.01 OUTLIER Glycine 0 C--O 1.213 -1.21 0 O-C-N 129.023 3.952 . . . . 10.0 113.612 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 136.2 -47.57 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.111 4.065 . . . . 10.0 111.542 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -136.9 107.36 6.48 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 111.595 -2.548 . . . . 10.0 112.555 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 88' ' ' TRP . 7.0 tt -54.02 139.35 34.83 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.848 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HG3' HG23 ' A' ' 107' ' ' THR . 7.6 mt-30 -134.69 136.39 42.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.346 -1.297 . . . . 10.0 113.757 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 59.4 m -120.13 113.45 20.48 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 126.45 2.344 . . . . 10.0 109.47 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.35 135.53 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 O-C-N 126.976 2.672 . . . . 10.0 113.721 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' NE2' ' CZ2' ' A' ' 106' ' ' TRP . 10.8 mt-30 -120.23 137.89 53.96 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 113.736 -1.575 . . . . 10.0 107.839 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -48.09 51.65 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 110.35 -3.114 . . . . 10.0 113.47 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 26.83 -121.87 0.05 OUTLIER Glycine 0 C--O 1.219 -0.835 0 O-C-N 128.245 3.466 . . . . 10.0 113.71 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -167.02 37.09 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.897 0 O-C-N 126.751 2.089 . . . . 10.0 112.206 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HB3' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -119.38 -173.75 2.58 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 111.793 -2.458 . . . . 10.0 113.837 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -74.8 -71.55 0.34 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 112.233 -2.258 . . . . 10.0 116.08 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -104.71 -6.42 40.68 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-O 117.038 -1.979 . . . . 10.0 115.019 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -10.83 71.97 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.055 3.312 . . . . 10.0 115.501 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 103' ' ' GLY . . . -175.09 158.83 26.78 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 110.938 -2.846 . . . . 10.0 111.537 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.413 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 1.3 m0 -124.12 152.23 43.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.727 -1.237 . . . . 10.0 113.619 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 94' ' ' GLN . 90.7 m -134.81 143.34 47.01 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.961 3.288 . . . . 10.0 110.667 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.72 142.18 48.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 124.035 1.874 . . . . 10.0 110.693 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -147.05 123.93 11.29 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 110.996 -2.82 . . . . 10.0 110.266 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.49 135.23 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 124.073 1.892 . . . . 10.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -125.76 70.17 1.2 Allowed 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 124.079 1.895 . . . . 10.0 111.275 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.32 -97.71 1.58 Allowed Glycine 0 C--O 1.216 -0.984 0 CA-C-N 113.558 -1.656 . . . . 10.0 113.01 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.58 24.97 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.444 0.732 . . . . 10.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.9 142.14 28.47 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 123.63 1.681 . . . . 10.0 112.415 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.73 123.59 35.24 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 109.391 -3.55 . . . . 10.0 113.404 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.35 103.89 13.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 112.061 -2.336 . . . . 10.0 109.938 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.5 tp -102.95 137.06 41.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 123.754 1.74 . . . . 10.0 113.571 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.34 103.7 7.79 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.822 -1.99 . . . . 10.0 111.01 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 7.5 mtm -105.13 154.71 19.81 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 113.371 -1.74 . . . . 10.0 111.47 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -150.13 145.8 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.617 -2.538 . . . . 10.0 113.128 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.8 117.99 0.19 Allowed 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 111.984 -2.371 . . . . 10.0 114.314 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.82 30.27 6.35 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.94 -2.391 . . . . 10.0 114.464 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.38 -6.21 77.99 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-N 113.034 -1.894 . . . . 10.0 112.127 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.7 t -84.88 152.45 3.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 N-CA-C 108.463 -0.94 . . . . 10.0 108.463 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.2 m -126.77 106.62 9.48 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 128.438 3.586 . . . . 10.0 108.953 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.1 t -106.08 133.88 50.09 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.884 -1.053 . . . . 10.0 108.652 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -131.19 111.79 12.25 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 126.827 2.579 . . . . 10.0 109.172 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -103.47 133.02 49.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.088 2.118 . . . . 10.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.88 79.8 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 C-N-CA 117.475 -1.69 . . . . 10.0 115.398 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -82.82 148.12 27.96 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 126.451 2.345 . . . . 10.0 108.338 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -126.66 142.91 51.39 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 127.418 2.949 . . . . 10.0 114.17 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.65 148.46 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 110.285 -3.143 . . . . 10.0 109.109 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.61 -61.1 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 CA-C-N 115.11 -0.95 . . . . 10.0 111.914 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.348 0 CA-C-O 113.701 -3.047 . . . . 10.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.54 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.486 1.03 0 N-CA-C 109.764 -0.898 . . . . 10.0 109.764 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 p -76.79 149.28 6.4 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 113.411 -1.722 . . . . 10.0 109.061 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 168.19 126.9 0.01 OUTLIER 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 127.292 2.87 . . . . 10.0 109.892 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.606 ' CE1' HD11 ' A' ' 110' ' ' ILE . 66.9 m-85 -106.98 24.63 12.48 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 113.457 0.91 . . . . 10.0 113.457 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -96.31 137.09 35.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.081 1.42 . . . . 10.0 108.704 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.83 -131.39 5.59 Favored Glycine 0 C--O 1.216 -0.969 0 CA-C-O 126.251 3.139 . . . . 10.0 109.687 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -143.58 150.71 39.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.504 -2.348 . . . . 10.0 112.762 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.5 m95 -145.73 156.02 43.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 113.935 -1.484 . . . . 10.0 107.83 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -143.17 -179.75 6.58 Favored 'General case' 0 C--O 1.217 -0.618 1 O-C-N 130.34 4.775 . . . . 10.0 108.35 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.11 160.23 19.32 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 124.682 2.182 . . . . 10.0 113.192 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -146.03 -57.16 0.3 Allowed 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.392 -2.64 . . . . 10.0 110.563 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.52 162.71 39.1 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 129.123 4.014 . . . . 10.0 110.117 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.78 130.31 41.68 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 109.488 -3.506 . . . . 10.0 109.491 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.87 122.82 39.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 113.903 -1.499 . . . . 10.0 113.609 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.67 31.15 1.3 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 126.303 2.954 . . . . 10.0 114.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 20' ' ' LEU . 47.9 t80 -65.58 -38.94 90.97 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 111.591 -2.55 . . . . 10.0 114.572 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -20.93 51.46 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 110.788 -2.915 . . . . 10.0 113.725 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -76.63 -42.29 42.78 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 110.809 -2.905 . . . . 10.0 109.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.416 ' HA ' HG11 ' A' ' 124' ' ' VAL . 18.3 t80 -65.13 -24.11 67.32 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.636 2.46 . . . . 10.0 111.803 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 25' ' ' VAL . 28.6 mt -74.07 -42.57 59.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 113.203 -1.817 . . . . 10.0 112.264 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -53.47 -23.92 11.53 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.477 1.911 . . . . 10.0 115.452 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -75.89 -22.18 56.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.149 -0.932 . . . . 10.0 113.18 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.16 22.78 15.14 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.214 -1.812 . . . . 10.0 112.859 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 48.66 57.76 5.98 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.751 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.774 HG21 HD22 ' A' ' 20' ' ' LEU . 1.2 t -90.08 143.82 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.091 0 CA-C-N 113.116 -1.857 . . . . 10.0 108.913 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -68.63 137.1 53.94 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.795 -2.457 . . . . 10.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -20.73 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.903 -2.408 . . . . 10.0 114.996 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.66 -31.25 41.44 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 124.739 1.275 . . . . 10.0 110.141 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 9.8 tp -74.32 -23.83 59.11 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.275 -2.693 . . . . 10.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -68.95 -32.8 72.66 Favored 'General case' 0 C--O 1.211 -0.922 1 O-C-N 129.215 4.072 . . . . 10.0 111.254 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -41.16 58.34 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 109.766 -3.379 . . . . 10.0 113.711 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.42 -29.69 18.96 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.098 0 O-C-N 127.142 2.776 . . . . 10.0 109.176 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -68.24 -26.83 65.89 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 111.992 -2.367 . . . . 10.0 113.03 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -25.99 68.32 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 112.859 -1.973 . . . . 10.0 113.96 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -112.24 11.26 20.18 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 109.086 -3.688 . . . . 10.0 110.711 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 38' ' ' PRO . 2.0 tt -108.48 101.25 10.43 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 127.937 3.273 . . . . 10.0 112.266 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -143.36 75.64 16.7 Favored Pre-proline 0 CA--C 1.507 -0.683 0 O-C-N 128.653 3.721 . . . . 10.0 108.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' HD23 ' A' ' 36' ' ' LEU . 5.3 Cg_exo -62.8 166.67 13.4 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 124.164 3.243 . . . . 10.0 114.357 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.0 152.15 20.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 111.826 -2.443 . . . . 10.0 109.081 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HB3' HD11 ' A' ' 42' ' ' ILE . 23.4 mttt -123.34 127.94 49.21 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 125.449 2.547 . . . . 10.0 111.262 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -115.18 104.08 11.49 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 111.026 -2.806 . . . . 10.0 109.894 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 40' ' ' LYS . 4.8 mp -104.99 146.5 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 O-C-N 124.976 1.422 . . . . 10.0 112.1 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 t -133.24 85.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 112.324 -2.216 . . . . 10.0 113.439 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 126.37 29.18 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 111.668 -2.514 . . . . 10.0 110.215 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.62 67.15 0.69 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 110.278 -3.147 . . . . 10.0 110.983 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.04 -115.58 4.93 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 111.533 -2.576 . . . . 10.0 111.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.94 -6.26 48.91 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.206 1.955 . . . . 10.0 112.519 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 129.3 43.03 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.018 -2.355 . . . . 10.0 109.611 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.11 66.1 1.55 Allowed 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 126.698 3.142 . . . . 10.0 109.101 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.434 HG21 ' HE ' ' A' ' 52' ' ' ARG . 22.1 mt -52.67 102.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.516 0 CA-C-N 110.197 -3.183 . . . . 10.0 113.086 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.6 mt -97.59 122.53 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 O-C-N 127.835 3.209 . . . . 10.0 108.633 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HE ' HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -114.88 99.61 7.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.858 -2.428 . . . . 10.0 115.158 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.09 111.15 22.69 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 109.869 -3.332 . . . . 10.0 107.649 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.89 116.02 31.2 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 111.934 -2.394 . . . . 10.0 114.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.3 137.42 27.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 124.718 2.199 . . . . 10.0 108.224 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -55.98 -23.46 32.61 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.702 -2.044 . . . . 10.0 112.433 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -81.37 -48.29 12.14 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 112.717 -2.038 . . . . 10.0 110.668 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 59' ' ' ASN . 14.0 ttm-85 -164.32 148.26 9.58 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 114.088 -1.414 . . . . 10.0 111.651 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.6 m120 -117.92 126.03 51.59 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 122.194 0.997 . . . . 10.0 109.463 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -115.42 82.7 1.8 Allowed 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 113.708 -1.587 . . . . 10.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.7 124.36 38.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 112.8 -2.0 . . . . 10.0 109.822 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.7 mtp -121.55 136.5 54.95 Favored 'General case' 0 C--O 1.207 -1.133 0 O-C-N 128.695 3.747 . . . . 10.0 111.4 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -113.73 54.92 0.73 Allowed 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 110.818 -2.901 . . . . 10.0 107.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -35.52 137.16 0.2 Allowed 'General case' 0 CA--C 1.503 -0.842 0 O-C-N 128.611 3.695 . . . . 10.0 113.247 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -138.73 92.25 2.6 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 125.402 2.525 . . . . 10.0 108.252 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.426 HG22 HG12 ' A' ' 86' ' ' VAL . 55.2 t -58.04 133.42 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.985 0 CA-C-N 110.342 -3.117 . . . . 10.0 111.737 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.06 -6.1 83.91 Favored Glycine 0 C--O 1.214 -1.15 0 O-C-N 125.374 1.671 . . . . 10.0 112.291 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -114.93 118.68 34.14 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.713 0.768 . . . . 10.0 110.082 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 152.43 1.15 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 113.85 -1.523 . . . . 10.0 114.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.4 161.65 19.62 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 111.176 -2.738 . . . . 10.0 113.502 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -134.22 56.58 1.84 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 143.79 9.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 110.668 -2.969 . . . . 10.0 113.899 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.4 ' CB ' ' HD2' ' A' ' 81' ' ' LYS . 4.5 p-10 -142.78 114.43 8.03 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.119 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.414 HD12 ' HD3' ' A' ' 80' ' ' ARG . 41.3 mt -106.11 57.89 0.66 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.495 -2.593 . . . . 10.0 113.369 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.563 HG22 ' OD1' ' A' ' 79' ' ' ASP . 72.0 p -82.33 0.44 41.68 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 127.343 2.902 . . . . 10.0 111.681 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.52 -3.43 53.17 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 114.269 -1.332 . . . . 10.0 110.386 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.443 HG13 ' H22' ' A' ' 135' ' ' RTL . 2.6 mp -127.05 -65.39 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 126.034 1.667 . . . . 10.0 113.401 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.47 12.28 1.93 Allowed 'General case' 0 C--N 1.34 0.184 0 O-C-N 125.15 1.531 . . . . 10.0 113.98 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' OD1' HG22 ' A' ' 75' ' ' THR . 17.4 t70 43.0 97.12 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 126.494 2.371 . . . . 10.0 114.346 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.414 ' HD3' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -128.31 -43.79 1.44 Allowed 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HD2' ' CB ' ' A' ' 73' ' ' ASP . 1.1 mptm? 61.2 101.87 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.854 1.788 . . . . 10.0 113.494 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.7 m -140.43 -178.63 5.58 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.553 -1.203 . . . . 10.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.99 143.67 39.64 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.512 HG23 ' OE1' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -133.96 168.31 19.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.345 1.545 . . . . 10.0 112.698 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.492 ' H ' HG22 ' A' ' 84' ' ' THR . 0.2 OUTLIER -146.92 125.17 12.21 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 111.311 -2.677 . . . . 10.0 109.662 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.582 HG21 ' CE2' ' A' ' 64' ' ' PHE . 49.1 t -109.03 101.03 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 123.812 1.767 . . . . 10.0 111.596 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.1 -171.23 1.99 Allowed 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 112.83 -1.987 . . . . 10.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 5.3 p-90 -129.3 121.96 28.59 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.238 -2.255 . . . . 10.0 113.045 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.99 103.6 8.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 112.902 -1.953 . . . . 10.0 109.54 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.8 -103.39 1.98 Allowed Glycine 0 C--O 1.22 -0.729 0 O-C-N 127.184 2.802 . . . . 10.0 110.562 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.51 25.17 2.65 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 128.731 3.254 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -132.16 122.63 25.62 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 110.222 -3.172 . . . . 10.0 113.011 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.2 102.05 0.99 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-N 111.601 -2.545 . . . . 10.0 108.667 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -102.81 132.56 48.9 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 113.431 -1.713 . . . . 10.0 109.676 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.69 98.09 4.1 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 124.972 2.32 . . . . 10.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.89 162.73 3.03 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 110.39 -3.095 . . . . 10.0 109.855 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.539 ' HB2' ' HD3' ' A' ' 104' ' ' ARG . 2.8 mm100 -124.89 157.63 35.49 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 114.551 -1.204 . . . . 10.0 111.737 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 67.31 1.44 Allowed 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 124.681 2.181 . . . . 10.0 112.901 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.88 -155.38 31.5 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 120.089 -1.632 . . . . 10.0 112.629 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.58 -51.95 5.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.929 -2.135 . . . . 10.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 177.11 8.1 Favored 'General case' 0 C--O 1.205 -1.283 0 O-C-N 126.469 2.356 . . . . 10.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.889 ' CD ' ' HB1' ' A' ' 121' ' ' ALA . 0.0 OUTLIER 70.78 136.4 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.128 1 O-C-N 131.119 5.262 . . . . 10.0 110.904 178.98 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.04 61.53 0.99 Allowed Glycine 0 CA--C 1.504 -0.595 0 CA-C-N 115.475 -0.784 . . . . 10.0 112.829 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.583 ' HG3' ' HG2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -71.47 130.14 40.54 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 124.688 2.185 . . . . 10.0 110.812 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.75 114.79 0.31 Allowed Glycine 0 N--CA 1.469 0.867 0 CA-C-N 111.704 -2.498 . . . . 10.0 109.692 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -110.77 152.6 26.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 126.734 2.079 . . . . 10.0 112.991 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 132.62 43.27 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 127.261 2.851 . . . . 10.0 112.391 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -103.12 108.78 20.1 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.171 2.795 . . . . 10.0 110.073 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -133.47 136.82 45.37 Favored 'General case' 0 C--O 1.21 -0.992 1 O-C-N 130.078 4.611 . . . . 10.0 109.928 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.606 HD11 ' CE1' ' A' ' 4' ' ' PHE . 2.6 mp -111.32 135.39 50.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 O-C-N 126.417 2.323 . . . . 10.0 114.108 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -106.64 47.98 0.86 Allowed 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 126.577 2.423 . . . . 10.0 113.751 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.405 ' H ' HG22 ' A' ' 110' ' ' ILE . . . 57.14 88.52 0.02 OUTLIER Glycine 0 C--N 1.349 1.303 0 CA-C-N 111.783 -2.462 . . . . 10.0 113.612 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 t0 70.41 36.32 1.77 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 110.801 -2.7 . . . . 10.0 113.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -160.18 102.2 1.42 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 128.207 3.442 . . . . 10.0 109.435 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.509 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 7.0 tt -74.51 99.84 3.7 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.809 -2.45 . . . . 10.0 109.497 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -99.64 92.11 5.19 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 123.582 1.658 . . . . 10.0 114.754 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.505 HD23 ' SD ' ' A' ' 119' ' ' MET . 13.8 tp -85.24 133.28 34.18 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 113.986 -1.461 . . . . 10.0 107.546 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.72 111.71 22.87 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 128.533 3.646 . . . . 10.0 110.485 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.505 ' SD ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -115.3 149.95 37.03 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 124.963 1.415 . . . . 10.0 111.166 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 24.2 mtm-85 -147.23 152.24 38.0 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 112.436 -2.165 . . . . 10.0 111.603 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.889 ' HB1' ' CD ' ' A' ' 102' ' ' GLU . . . 173.41 140.1 0.04 OUTLIER 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.979 -1.464 . . . . 10.0 110.28 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 45.6 36.24 2.49 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 127.777 3.173 . . . . 10.0 113.439 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.76 24.48 76.93 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-N 111.965 -2.38 . . . . 10.0 112.529 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.615 HG21 ' HB2' ' A' ' 22' ' ' ALA . 3.3 t -114.85 115.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 127.0 2.236 . . . . 10.0 109.798 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.5 m -103.44 132.17 49.92 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 123.938 1.828 . . . . 10.0 113.656 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 147.04 20.49 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 126.229 2.919 . . . . 10.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.29 142.58 35.69 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 110.221 -3.172 . . . . 10.0 111.26 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -99.47 126.32 45.37 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 113.687 -1.597 . . . . 10.0 109.629 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.21 112.09 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 111.82 -2.445 . . . . 10.0 108.41 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -122.62 173.89 7.43 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 113.04 -1.891 . . . . 10.0 109.516 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.37 145.49 31.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 127.977 3.298 . . . . 10.0 113.376 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 12.2 tttt -96.55 138.32 34.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 111.399 -2.637 . . . . 10.0 110.027 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.84 -50.3 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 113.88 -1.509 . . . . 10.0 112.994 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.383 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.614 ' C18' HD21 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.489 1.225 0 CA-C-O 122.581 0.992 . . . . 10.0 112.873 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.37 105.62 18.85 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 CA-C-N 110.642 -2.981 . . . . 10.0 109.82 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.44 135.31 54.65 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 124.247 1.975 . . . . 10.0 110.742 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' HB3' HG21 ' A' ' 42' ' ' ILE . 10.0 m-85 -91.17 -32.26 15.88 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 112.977 -1.919 . . . . 10.0 110.046 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.24 88.83 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 111.398 -2.637 . . . . 10.0 111.74 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.22 167.58 39.29 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-O 124.776 2.32 . . . . 10.0 113.131 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.45 109.37 20.95 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-N 111.174 -2.513 . . . . 10.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.6 ' CZ3' HD13 ' A' ' 42' ' ' ILE . 2.7 m0 -103.16 108.61 19.87 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 113.298 -1.774 . . . . 10.0 111.866 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 131' ' ' LYS . 5.4 ptmt -106.55 141.29 38.08 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 125.162 1.538 . . . . 10.0 107.043 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.82 -178.47 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.9 3.238 . . . . 10.0 114.991 -179.223 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' HG2' ' A' ' 10' ' ' MET . 0.4 OUTLIER -158.17 -61.78 0.08 Allowed 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 108.994 -3.73 . . . . 10.0 109.051 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -179.09 148.06 0.37 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 127.283 2.864 . . . . 10.0 111.361 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' HB3' ' HG2' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -126.9 150.75 49.15 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 110.181 -3.19 . . . . 10.0 112.217 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -121.98 151.67 40.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.645 -2.98 . . . . 10.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.01 24.03 7.34 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 112.658 -2.065 . . . . 10.0 110.966 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -75.92 -35.99 59.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.801 -1.545 . . . . 10.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.24 -36.67 61.26 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 125.183 1.552 . . . . 10.0 112.39 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -75.62 -28.88 59.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.673 -1.603 . . . . 10.0 112.055 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.9 t80 -68.75 -28.45 66.81 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 127.357 2.91 . . . . 10.0 113.848 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 20' ' ' LEU . 72.9 mt -73.99 -38.9 63.98 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 112.107 -2.315 . . . . 10.0 109.929 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -65.47 -24.89 67.27 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 127.112 2.757 . . . . 10.0 113.956 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.68 70.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 126.031 2.082 . . . . 10.0 114.021 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 10.6 mt -98.68 9.27 43.68 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 126.742 2.526 . . . . 10.0 109.628 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.9 75.54 0.21 Allowed 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 126.57 2.419 . . . . 10.0 109.92 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.66 144.4 24.48 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 CA-C-N 111.485 -2.598 . . . . 10.0 111.534 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -43.3 146.28 0.48 Allowed 'General case' 0 C--N 1.345 0.37 0 O-C-N 128.167 3.417 . . . . 10.0 113.015 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' NH2' ' A' ' 30' ' ' ARG . 4.3 p -75.99 -20.22 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 123.255 1.502 . . . . 10.0 110.4 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.83 59.9 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 123.169 1.462 . . . . 10.0 109.63 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tp -79.83 -28.63 40.11 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 113.744 -1.571 . . . . 10.0 112.815 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' NH2' HG23 ' A' ' 27' ' ' VAL . 11.0 ttm180 -75.14 -33.93 61.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 110.693 -2.958 . . . . 10.0 109.187 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -72.53 -39.45 67.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 128.186 3.429 . . . . 10.0 111.752 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.678 ' O ' HD23 ' A' ' 36' ' ' LEU . 23.7 mt -73.24 -44.6 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 CA-C-N 109.53 -3.486 . . . . 10.0 109.725 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.66 67.98 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 123.433 1.587 . . . . 10.0 113.746 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -33.87 69.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 123.897 1.808 . . . . 10.0 113.027 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.33 11.79 35.35 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 113.378 -1.737 . . . . 10.0 112.966 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -82.85 -74.42 0.36 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 125.977 2.048 . . . . 10.0 114.484 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.37 71.18 1.48 Allowed Pre-proline 0 CA--C 1.51 -0.569 0 C-N-CA 118.188 -1.405 . . . . 10.0 112.255 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -72.88 -177.79 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.82 1.68 . . . . 10.0 113.617 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.55 112.21 7.12 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 123.945 1.831 . . . . 10.0 109.125 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.23 148.84 24.17 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 110.742 -2.936 . . . . 10.0 113.902 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -136.58 102.36 4.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 127.581 3.051 . . . . 10.0 109.438 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.6 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mp -96.32 135.4 30.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 113.153 -1.84 . . . . 10.0 110.848 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -122.63 101.01 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 O-C-N 126.695 2.497 . . . . 10.0 113.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -82.94 122.05 27.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 111.583 -2.553 . . . . 10.0 110.698 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -120.51 16.66 12.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.209 -0.932 . . . . 10.0 112.062 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.09 -82.56 0.35 Allowed Glycine 0 N--CA 1.467 0.734 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.2 -52.01 4.89 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 110.81 -2.695 . . . . 10.0 109.646 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.97 127.55 33.19 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 111.896 -2.411 . . . . 10.0 110.452 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.77 59.94 1.28 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 110.784 -2.916 . . . . 10.0 109.261 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 62' ' ' MET . 6.1 mt -43.59 129.4 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-N 109.549 -3.478 . . . . 10.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 ' HB2' ' A' ' 64' ' ' PHE . 2.6 mt -116.49 127.81 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 112.267 -2.242 . . . . 10.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.39 144.31 50.87 Favored 'General case' 0 C--O 1.208 -1.086 0 O-C-N 124.521 1.138 . . . . 10.0 111.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.525 ' C ' HD23 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -137.91 120.53 16.19 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 110.283 -3.144 . . . . 10.0 111.46 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD23 ' C ' ' A' ' 53' ' ' THR . 1.2 mt -111.26 76.71 0.99 Allowed 'General case' 0 C--O 1.216 -0.66 0 O-C-N 128.994 3.934 . . . . 10.0 107.726 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 8.8 p -82.33 -4.36 57.1 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 110.904 -2.862 . . . . 10.0 112.788 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 m 62.01 21.64 12.5 Favored 'General case' 0 C--O 1.209 -1.048 0 O-C-N 125.912 2.008 . . . . 10.0 113.287 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 36' ' ' LEU . 2.8 m-85 -141.66 -68.21 0.39 Allowed 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.143 -2.299 . . . . 10.0 109.681 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HB3' H173 ' A' ' 135' ' ' RTL . 54.1 ttm-85 -129.78 88.4 2.67 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 112.829 -1.987 . . . . 10.0 112.015 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -54.07 106.59 0.2 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 111.23 -2.714 . . . . 10.0 110.492 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -106.59 113.76 27.45 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 123.162 1.458 . . . . 10.0 113.882 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 61' ' ' ILE . 5.3 mp -120.97 135.69 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 113.245 -1.798 . . . . 10.0 110.374 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 50' ' ' ILE . 8.2 mmt -146.47 165.04 30.61 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 110.08 -3.236 . . . . 10.0 112.016 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -127.14 70.79 1.3 Allowed 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.714 1.259 . . . . 10.0 110.006 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.452 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -65.45 104.92 1.06 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 128.732 3.77 . . . . 10.0 110.526 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 62.8 mt-30 -96.66 146.21 25.06 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.906 -1.952 . . . . 10.0 109.499 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.78 132.83 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.92 43.7 5.45 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.272 -1.786 . . . . 10.0 109.711 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 1.2 tpmp? -111.08 -48.62 3.09 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 114.552 1.315 . . . . 10.0 114.552 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 86.99 132.68 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.91 0 O-C-N 127.424 2.953 . . . . 10.0 111.914 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 6.6 p90 -161.26 168.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 124.277 1.989 . . . . 10.0 112.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.3 145.91 41.42 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.135 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.02 107.65 4.84 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.306 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 114.42 23.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 112.134 -2.303 . . . . 10.0 110.315 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.3 mm? -96.01 53.22 1.36 Allowed 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 111.661 -2.518 . . . . 10.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.4 p -70.86 -3.63 20.08 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.612 -1.631 . . . . 10.0 114.793 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.52 1.09 32.53 Favored Glycine 0 N--CA 1.471 1.014 0 C-N-CA 119.693 -1.241 . . . . 10.0 113.165 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.6 mt -117.96 -70.43 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 112.329 -1.936 . . . . 10.0 110.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -150.03 27.41 0.78 Allowed 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 114.153 1.168 . . . . 10.0 114.153 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 35.07 92.87 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.902 0 O-C-N 128.795 3.81 . . . . 10.0 114.64 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -129.66 100.14 5.4 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 109.533 -3.485 . . . . 10.0 110.195 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 123.38 33.46 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 116.667 -2.013 . . . . 10.0 108.811 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -158.09 171.5 20.11 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 128.528 3.643 . . . . 10.0 111.686 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.402 ' HB2' ' HD3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -107.73 126.42 52.59 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 128.533 3.645 . . . . 10.0 107.359 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 97' ' ' GLN . 8.6 m -109.8 151.66 26.7 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 125.911 2.007 . . . . 10.0 114.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.14 134.61 28.03 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 110.147 -3.206 . . . . 10.0 107.679 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.26 109.21 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 O-C-N 127.329 2.893 . . . . 10.0 114.224 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 t -98.17 141.96 30.44 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.282 0.989 . . . . 10.0 111.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' TRP . 0.0 OUTLIER -107.31 25.88 10.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.826 -1.079 . . . . 10.0 113.905 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -2.06 -66.85 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 127.482 2.989 . . . . 10.0 115.951 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.66 -97.74 0.49 Allowed Glycine 0 C--O 1.214 -1.147 0 CA-C-O 124.334 2.074 . . . . 10.0 111.583 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -109.99 27.25 9.78 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.437 1.589 . . . . 10.0 113.631 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.75 -178.36 7.24 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.719 -1.582 . . . . 10.0 112.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.44 119.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 126.171 2.169 . . . . 10.0 112.57 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.14 102.51 8.19 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.827 1.775 . . . . 10.0 108.433 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.0 t -87.71 128.59 35.3 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 110.745 -2.934 . . . . 10.0 113.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.43 131.9 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.124 0 CA-C-N 113.198 -1.819 . . . . 10.0 112.664 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.508 ' HG2' HG23 ' A' ' 84' ' ' THR . 34.7 mt-30 -104.2 137.5 42.03 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 111.723 -2.489 . . . . 10.0 107.573 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 83' ' ' MET . 4.5 ptmt -93.61 51.54 1.59 Allowed 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 124.956 2.312 . . . . 10.0 114.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.46 158.74 15.46 Favored Glycine 0 C--O 1.219 -0.794 0 CA-C-N 112.171 -2.286 . . . . 10.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -51.91 158.59 1.0 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 118.081 -0.962 . . . . 10.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 105.88 136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 1 O-C-N 130.108 4.63 . . . . 10.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -97.16 132.24 43.13 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 112.04 -2.345 . . . . 10.0 110.035 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.07 1.79 Allowed Glycine 0 C--O 1.211 -1.34 0 N-CA-C 108.18 -1.968 . . . . 10.0 108.18 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -34.53 130.5 0.37 Allowed 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 129.165 3.509 . . . . 10.0 110.8 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.86 110.46 1.35 Allowed Glycine 0 C--O 1.213 -1.183 0 CA-C-N 112.723 -2.035 . . . . 10.0 109.409 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.732 ' CH2' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.58 177.8 0.19 Allowed 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 114.438 -0.881 . . . . 10.0 112.406 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m 179.92 129.21 0.09 Allowed 'General case' 0 C--O 1.22 -0.497 0 O-C-N 127.764 3.165 . . . . 10.0 110.079 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 109' ' ' TRP . 25.2 tt0 -139.03 147.01 41.52 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 111.479 -2.6 . . . . 10.0 114.377 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.425 ' N ' ' HG2' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -157.62 124.3 4.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 110.891 -2.868 . . . . 10.0 109.546 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.3 mt -84.3 151.23 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.162 0 CA-C-N 110.756 -2.929 . . . . 10.0 112.689 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.43 -64.14 1.31 Allowed 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 123.632 1.682 . . . . 10.0 112.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.16 -102.12 1.03 Allowed Glycine 0 CA--C 1.503 -0.717 0 N-CA-C 109.088 -1.605 . . . . 10.0 109.088 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -118.34 17.97 13.75 Favored 'General case' 0 CA--C 1.494 -1.19 0 CA-C-O 122.332 1.063 . . . . 10.0 109.738 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.49 109.88 11.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 111.944 -2.389 . . . . 10.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 116' ' ' HIS . 0.5 OUTLIER -78.03 119.11 21.01 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 125.894 1.996 . . . . 10.0 112.605 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.548 ' N ' HD23 ' A' ' 115' ' ' LEU . 45.7 t-80 -116.48 152.7 33.5 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 129.008 3.943 . . . . 10.0 108.461 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.732 HD22 ' CH2' ' A' ' 106' ' ' TRP . 1.2 pp -156.3 149.31 24.15 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 111.123 -2.762 . . . . 10.0 109.24 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -125.85 79.29 1.82 Allowed 'General case' 0 CA--C 1.494 -1.19 0 CA-C-N 114.393 -1.276 . . . . 10.0 113.439 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.571 ' CG ' ' HB3' ' A' ' 126' ' ' CYS . 23.0 ptm -74.01 166.65 23.0 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 127.574 3.046 . . . . 10.0 108.787 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -144.97 153.12 41.18 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 111.728 -2.487 . . . . 10.0 108.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -166.57 103.09 0.59 Allowed 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 126.71 2.506 . . . . 10.0 113.441 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 76.25 26.06 0.97 Allowed 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 123.555 1.645 . . . . 10.0 113.81 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.55 -17.08 58.94 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 121.02 -1.05 . . . . 10.0 112.105 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 125' ' ' THR . 12.6 t -77.21 166.35 2.74 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.067 0 CA-C-N 111.216 -2.492 . . . . 10.0 108.658 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.511 ' N ' HG12 ' A' ' 124' ' ' VAL . 24.2 m -140.88 112.65 7.62 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 112.951 -1.932 . . . . 10.0 110.323 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.571 ' HB3' ' CG ' ' A' ' 119' ' ' MET . 2.2 t -98.19 142.03 30.37 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 125.55 2.595 . . . . 10.0 113.906 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -117.55 100.43 7.64 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.321 -2.112 . . . . 10.0 113.631 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HG2' ' HB3' ' A' ' 13' ' ' ASN . 67.6 mt-30 -103.11 117.82 35.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.6 t -113.06 116.42 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 O-C-N 125.599 1.812 . . . . 10.0 114.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' MET . 8.7 m-85 -114.45 141.25 47.92 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.171 1.462 . . . . 10.0 109.497 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 tptt -99.61 118.41 36.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 125.528 2.585 . . . . 10.0 112.554 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 133' ' ' VAL . 4.6 ttmt -65.93 133.56 51.15 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 124.84 2.257 . . . . 10.0 108.732 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 132' ' ' LYS . 90.3 t -104.39 -38.43 4.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 CA-C-N 110.927 -2.851 . . . . 10.0 114.396 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--O 1.261 1.68 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.277 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.702 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 N--CA 1.506 2.229 0 N-CA-C 108.453 -1.403 . . . . 10.0 108.453 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -135.85 -31.77 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 O-C-N 127.266 2.854 . . . . 10.0 114.838 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.08 110.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.198 0.999 . . . . 10.0 109.884 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -72.82 -12.29 60.93 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 113.466 -1.697 . . . . 10.0 112.708 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.42 126.87 14.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.59 -2.096 . . . . 10.0 113.717 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.7 -171.59 34.28 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-O 124.924 2.402 . . . . 10.0 109.772 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CE1' ' HG2' ' A' ' 41' ' ' GLU . 1.2 m-85 -117.43 87.3 2.68 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 109.914 -3.143 . . . . 10.0 109.061 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.632 ' CD1' HD12 ' A' ' 42' ' ' ILE . 1.7 m95 -86.6 146.44 26.34 Favored 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 127.108 3.337 . . . . 10.0 113.379 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -154.1 136.59 15.06 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 109.254 -3.612 . . . . 10.0 110.96 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.7 ttm -78.28 132.04 37.33 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 111.818 -2.446 . . . . 10.0 111.396 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 131' ' ' LYS . 7.0 mt -98.04 -45.69 6.16 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 110.022 -3.263 . . . . 10.0 111.213 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 p -148.68 164.21 35.02 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-N 109.63 -3.441 . . . . 10.0 109.866 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -145.38 171.95 13.87 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 123.755 1.74 . . . . 10.0 109.641 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.71 140.24 18.81 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 123.817 1.77 . . . . 10.0 109.506 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 59.31 26.78 15.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 110.983 -2.826 . . . . 10.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.64 ' HE1' ' HB1' ' A' ' 33' ' ' ALA . 27.2 t80 -69.01 -32.66 72.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 124.644 2.164 . . . . 10.0 113.061 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.22 -33.37 61.36 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.425 -2.17 . . . . 10.0 112.877 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.45 -26.91 41.65 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 112.553 -2.112 . . . . 10.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -76.44 -25.26 54.22 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 123.7 1.714 . . . . 10.0 113.918 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 30' ' ' ARG . 68.9 mt -76.67 -35.75 57.74 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 112.827 -1.988 . . . . 10.0 110.28 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -76.11 -20.12 57.92 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 127.411 2.944 . . . . 10.0 113.249 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.33 67.48 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.768 3.167 . . . . 10.0 114.855 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 23' ' ' LEU . 68.3 mt -105.32 13.87 29.76 Favored 'General case' 0 C--O 1.21 -0.979 0 O-C-N 126.422 2.326 . . . . 10.0 112.99 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 49.26 35.95 8.48 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.887 1.803 . . . . 10.0 111.702 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.604 HG11 HD22 ' A' ' 29' ' ' LEU . 23.9 t -50.46 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 113.5 -1.682 . . . . 10.0 111.379 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' N ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER 174.19 148.87 0.08 Allowed 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 125.049 1.34 . . . . 10.0 110.351 179.494 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 t -76.37 -31.52 20.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -77.88 -23.58 48.76 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 111.211 -2.722 . . . . 10.0 113.248 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD22 HG11 ' A' ' 25' ' ' VAL . 3.8 tt -78.12 -33.89 50.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 123.522 1.629 . . . . 10.0 108.259 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HA ' HD13 ' A' ' 20' ' ' LEU . 4.5 ttp180 -65.9 -34.81 78.99 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 111.967 -2.378 . . . . 10.0 112.288 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 35' ' ' LEU . 4.1 mttp -65.7 -41.8 91.91 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 113.205 -1.816 . . . . 10.0 112.259 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.3 mp -76.87 -38.82 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 CA-C-N 110.259 -3.155 . . . . 10.0 112.397 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.64 ' HB1' ' HE1' ' A' ' 16' ' ' PHE . . . -58.13 -23.0 53.43 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 120.324 -1.485 . . . . 10.0 114.274 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -72.32 -29.88 64.25 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.855 1.788 . . . . 10.0 114.555 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 31' ' ' LYS . 1.2 mp -100.06 18.81 17.61 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.344 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.711 HD12 ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -145.49 135.27 23.49 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 126.486 3.041 . . . . 10.0 113.056 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -134.07 91.27 24.2 Favored Pre-proline 0 CA--C 1.51 -0.582 0 CA-C-N 111.213 -2.721 . . . . 10.0 108.273 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' HD12 ' A' ' 36' ' ' LEU . 21.8 Cg_exo -56.58 179.17 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.075 0 O-C-N 127.425 3.329 . . . . 10.0 114.614 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.11 158.77 43.71 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 111.204 -2.725 . . . . 10.0 108.558 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.608 ' CG ' ' HB2' ' A' ' 8' ' ' TRP . 1.7 ptpp? -137.41 160.63 38.55 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.073 -2.785 . . . . 10.0 115.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 23.0 mt-10 -136.36 97.79 3.67 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 111.292 -2.686 . . . . 10.0 111.964 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.632 HD12 ' CD1' ' A' ' 8' ' ' TRP . 19.8 mt -91.78 122.8 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 O-C-N 128.414 3.571 . . . . 10.0 111.452 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -126.92 91.65 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.868 0 CA-C-N 112.886 -1.961 . . . . 10.0 110.747 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.36 160.04 7.19 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 127.687 3.117 . . . . 10.0 110.078 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.01 74.81 0.15 Allowed 'General case' 0 CA--C 1.498 -1.031 0 O-C-N 126.652 2.47 . . . . 10.0 112.971 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.28 -100.11 0.5 Allowed Glycine 0 C--O 1.21 -1.371 0 CA-C-O 123.945 1.859 . . . . 10.0 113.396 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.71 -35.0 16.98 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.96 -2.12 . . . . 10.0 110.574 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -82.07 135.41 35.33 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 113.054 -1.885 . . . . 10.0 113.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.0 ttm -122.5 108.22 12.92 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 127.087 2.742 . . . . 10.0 112.011 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.8 mt -106.04 125.43 61.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 112.145 -2.298 . . . . 10.0 113.092 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.92 116.36 44.46 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 113.039 -1.891 . . . . 10.0 110.017 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD2' HG12 ' A' ' 61' ' ' ILE . 2.4 mmm180 -97.12 171.07 8.69 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 124.201 1.953 . . . . 10.0 110.53 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -151.88 108.38 3.46 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 110.677 -2.965 . . . . 10.0 109.359 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.9 mt -98.13 104.22 16.23 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 110.606 -2.997 . . . . 10.0 113.547 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.89 119.56 13.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.176 -1.374 . . . . 10.0 109.11 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.1 p -55.01 -21.9 13.54 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 127.438 2.961 . . . . 10.0 114.86 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CE1' HG21 ' A' ' 32' ' ' ILE . 2.6 t80 -74.53 -34.54 63.01 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 125.712 2.673 . . . . 10.0 112.1 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 172.81 121.74 0.02 OUTLIER 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 111.537 -2.574 . . . . 10.0 110.773 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -86.38 132.21 34.01 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.386 -2.188 . . . . 10.0 112.625 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.483 ' CE2' ' CD1' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -100.31 -138.08 0.32 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 115.213 -2.327 . . . . 10.0 106.176 179.216 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' HD2' ' A' ' 52' ' ' ARG . 21.8 mt 127.12 139.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 1 O-C-N 129.158 4.036 . . . . 10.0 112.447 178.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.8 mtt -131.51 148.57 52.64 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 125.122 2.391 . . . . 10.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -119.53 32.52 6.04 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 112.598 -2.092 . . . . 10.0 110.94 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.497 ' HZ ' HG21 ' A' ' 84' ' ' THR . 0.2 OUTLIER -40.36 133.17 1.9 Allowed 'General case' 0 C--O 1.216 -0.673 0 O-C-N 126.798 2.561 . . . . 10.0 114.553 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 34.3 mt-30 -112.95 150.15 32.25 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 111.568 -2.56 . . . . 10.0 108.785 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -99.62 131.09 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 O-C-N 124.108 0.88 . . . . 10.0 111.265 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.59 -3.59 86.91 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-O 124.138 1.966 . . . . 10.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 65' ' ' GLN . 6.5 mmtm -103.19 157.28 17.11 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 112.569 -1.815 . . . . 10.0 109.194 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -131.72 109.6 10.28 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 124.272 1.987 . . . . 10.0 112.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -135.36 162.91 31.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.85 -2.886 . . . . 10.0 114.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.53 163.45 18.62 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 126.146 2.154 . . . . 10.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -141.11 102.78 4.32 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 122.549 1.166 . . . . 10.0 113.572 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.8 108.08 19.32 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 111.545 -2.571 . . . . 10.0 108.308 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.65 1.35 49.65 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.727 -2.033 . . . . 10.0 113.72 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 p -40.4 107.89 0.08 Allowed 'General case' 0 CA--C 1.495 -1.158 0 O-C-N 126.685 2.49 . . . . 10.0 115.205 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.29 -11.26 7.65 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.018 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.483 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 15.1 mt -112.5 -66.78 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-N 111.563 -2.319 . . . . 10.0 111.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.03 11.35 2.85 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 114.496 -1.229 . . . . 10.0 114.083 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 50.35 73.09 0.29 Allowed 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 124.467 2.079 . . . . 10.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -142.32 150.84 41.33 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.472 -3.058 . . . . 10.0 108.601 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -138.11 125.84 22.33 Favored 'General case' 0 CA--C 1.506 -0.721 0 O-C-N 128.783 3.802 . . . . 10.0 108.906 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 p -156.07 163.76 39.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 125.57 2.605 . . . . 10.0 112.709 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.0 mtm -92.92 115.16 27.86 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 109.434 -3.53 . . . . 10.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.497 HG21 ' HZ ' ' A' ' 64' ' ' PHE . 3.3 m -106.04 148.65 27.51 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 125.715 1.885 . . . . 10.0 115.197 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.96 134.75 17.69 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 110.286 -3.143 . . . . 10.0 113.314 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.0 t -113.96 138.17 44.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-O 125.335 2.493 . . . . 10.0 109.16 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -139.01 161.77 36.56 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 110.672 -2.967 . . . . 10.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -94.06 157.94 15.85 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.249 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -154.95 46.63 0.53 Allowed 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 126.997 2.686 . . . . 10.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.55 -91.82 1.74 Allowed Glycine 0 C--O 1.215 -1.09 0 CA-C-N 113.54 -1.664 . . . . 10.0 111.324 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.81 -51.6 3.03 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 128.279 2.988 . . . . 10.0 111.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.622 ' HD3' HG22 ' A' ' 107' ' ' THR . 6.9 ttmt -73.42 133.54 43.76 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.002 -1.908 . . . . 10.0 108.987 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 tt -111.01 114.59 28.01 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 128.269 3.48 . . . . 10.0 110.943 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.07 145.34 30.05 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 111.998 -2.365 . . . . 10.0 110.781 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 64.1 m -130.61 83.46 2.12 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 110.739 -2.937 . . . . 10.0 108.747 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.86 154.7 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.89 0 CA-C-N 113.343 -1.753 . . . . 10.0 113.685 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.47 158.52 26.08 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-O 122.29 1.043 . . . . 10.0 109.18 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -127.3 46.22 2.57 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.367 -2.197 . . . . 10.0 113.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.73 -163.89 38.55 Favored Glycine 0 CA--C 1.494 -1.279 0 CA-C-N 111.615 -2.539 . . . . 10.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' C ' ' HG2' ' A' ' 101' ' ' LYS . 45.0 mm-40 -99.68 146.46 26.48 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.358 -0.921 . . . . 10.0 113.026 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG2' ' C ' ' A' ' 100' ' ' GLU . 2.4 mmtt 87.74 176.72 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.508 1 O-C-N 130.013 4.571 . . . . 10.0 108.598 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.07 171.94 13.62 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 124.093 0.87 . . . . 10.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.6 -91.96 1.7 Allowed Glycine 0 C--O 1.211 -1.292 0 O-C-N 127.444 2.965 . . . . 10.0 114.237 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 15.91 97.3 0.0 OUTLIER 'General case' 0 C--O 1.216 -0.662 1 O-C-N 130.088 4.052 . . . . 10.0 114.237 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.06 138.91 3.55 Favored Glycine 0 C--O 1.211 -1.309 0 CA-C-N 110.86 -2.882 . . . . 10.0 112.744 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -105.12 151.84 23.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 113.434 -1.383 . . . . 10.0 114.537 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.622 HG22 ' HD3' ' A' ' 92' ' ' LYS . 1.4 m -126.11 103.31 7.64 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 110.896 -2.865 . . . . 10.0 108.232 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 146.78 23.95 Favored 'General case' 0 CA--C 1.498 -1.042 0 O-C-N 125.851 1.969 . . . . 10.0 114.967 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -151.01 134.1 15.98 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 111.222 -2.717 . . . . 10.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mt -96.79 140.84 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-O 125.508 2.575 . . . . 10.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -137.75 178.68 6.92 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 111.495 -2.593 . . . . 10.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.72 102.59 0.06 OUTLIER Glycine 0 C--O 1.211 -1.283 0 CA-C-N 112.254 -2.248 . . . . 10.0 111.507 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.03 32.39 0.11 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.924 -2.138 . . . . 10.0 113.928 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -148.81 156.05 41.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 125.918 2.011 . . . . 10.0 110.367 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.515 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -114.54 117.99 32.49 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 113.256 -1.793 . . . . 10.0 112.829 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.24 129.22 42.44 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.46 1.6 . . . . 10.0 109.151 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.5 tp -135.98 105.03 5.91 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 112.079 -2.328 . . . . 10.0 112.973 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -95.85 70.87 2.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.003 -1.453 . . . . 10.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.46 ' CE ' H202 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -63.29 141.25 58.83 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 124.06 1.886 . . . . 10.0 109.466 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -144.73 112.35 6.19 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 110.26 -3.154 . . . . 10.0 111.496 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.02 131.32 34.82 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 113.002 -1.908 . . . . 10.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.86 22.75 10.57 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.023 -2.808 . . . . 10.0 110.271 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.7 41.29 24.43 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-O 124.761 2.312 . . . . 10.0 114.265 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.53 109.87 10.82 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 125.365 2.507 . . . . 10.0 111.367 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.2 m -81.21 130.65 35.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-N 109.752 -3.386 . . . . 10.0 113.439 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.8 t -126.53 142.34 51.57 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 111.395 -2.638 . . . . 10.0 109.178 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -136.55 114.47 11.34 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.054 1.407 . . . . 10.0 113.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.54 109.71 13.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.927 -1.942 . . . . 10.0 111.452 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.15 130.11 43.51 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-O 122.922 1.344 . . . . 10.0 113.174 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.515 ' CD2' ' HB3' ' A' ' 115' ' ' LEU . 3.8 m-30 -99.5 174.23 6.36 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 110.947 -2.842 . . . . 10.0 108.948 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.484 ' HB2' HD12 ' A' ' 11' ' ' LEU . 16.3 tptm -152.37 102.96 2.8 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.32 1.057 . . . . 10.0 110.413 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -52.47 122.08 8.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 111.279 -2.692 . . . . 10.0 114.24 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 131' ' ' LYS . 88.4 t -133.99 85.89 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 127.389 2.93 . . . . 10.0 107.694 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t60 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 114.773 -2.537 . . . . 10.0 112.861 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.542 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo . . . . . 0 N--CA 1.488 1.188 0 CA-C-O 122.786 1.078 . . . . 10.0 113.153 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.533 ' HB ' HD12 ' A' ' 110' ' ' ILE . 23.7 m -149.49 151.16 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 CA-C-N 112.122 -2.308 . . . . 10.0 113.072 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -104.04 112.38 25.34 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 111.932 -2.395 . . . . 10.0 112.574 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.563 ' HZ ' HD22 ' A' ' 93' ' ' LEU . 16.7 m-85 -89.57 -28.88 19.28 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -55.55 125.74 22.32 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 127.026 2.703 . . . . 10.0 110.341 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.56 -176.1 29.3 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 113.345 -1.752 . . . . 10.0 113.993 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.82 105.41 12.66 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 113.085 -1.558 . . . . 10.0 109.738 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 42' ' ' ILE . 7.2 m0 -96.33 102.22 13.98 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 113.25 -1.796 . . . . 10.0 113.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -93.17 151.97 19.51 Favored 'General case' 0 C--O 1.208 -1.126 0 O-C-N 125.683 1.864 . . . . 10.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttp -87.99 151.72 22.57 Favored 'General case' 0 C--O 1.208 -1.124 0 C-N-CA 118.65 -1.22 . . . . 10.0 113.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.63 -59.63 1.99 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-N 112.571 -2.104 . . . . 10.0 113.418 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -124.51 144.9 49.85 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 111.954 -2.384 . . . . 10.0 113.564 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.3 121.2 44.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.447 2.967 . . . . 10.0 107.865 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.66 128.83 33.83 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 125.027 1.455 . . . . 10.0 113.941 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.39 11.17 5.3 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 126.886 3.232 . . . . 10.0 114.263 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -55.79 -36.25 67.18 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 117.676 -3.14 . . . . 10.0 115.062 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.23 -40.43 67.77 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-N 113.158 -1.837 . . . . 10.0 111.918 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.46 -27.52 60.62 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.64 1.838 . . . . 10.0 111.566 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -76.8 -27.31 55.17 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 129.035 3.959 . . . . 10.0 113.13 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.697 HD21 H182 ' A' ' 135' ' ' RTL . 8.7 mt -75.04 -36.26 61.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 110.883 -2.871 . . . . 10.0 113.798 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -63.63 -31.97 73.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 111.039 -2.801 . . . . 10.0 114.338 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.77 64.62 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 111.242 -2.708 . . . . 10.0 113.838 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.67 20.52 18.72 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 125.647 2.641 . . . . 10.0 115.075 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.16 43.1 29.97 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 112.757 -2.02 . . . . 10.0 114.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 20' ' ' LEU . 53.0 t -88.25 126.83 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 C-N-CA 118.475 -1.29 . . . . 10.0 109.089 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -48.85 158.24 0.33 Allowed 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 125.113 2.387 . . . . 10.0 114.826 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.19 -21.38 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 CA-C-N 110.561 -3.018 . . . . 10.0 112.672 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.93 -54.14 6.65 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 111.699 -2.5 . . . . 10.0 111.437 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tp -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 126.061 2.101 . . . . 10.0 114.068 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HG3' HD12 ' A' ' 20' ' ' LEU . 59.0 ttp85 -76.05 -23.04 55.06 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 110.043 -3.253 . . . . 10.0 111.822 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -32.2 62.96 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 110.973 -2.831 . . . . 10.0 109.3 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.535 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.0 mm -78.69 -30.88 15.12 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 O-C-N 126.306 2.254 . . . . 10.0 110.671 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.42 67.72 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 112.281 -2.236 . . . . 10.0 114.657 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.74 -20.75 58.08 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 117.306 -1.757 . . . . 10.0 113.614 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.2 mt -96.08 11.04 35.58 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 124.802 2.239 . . . . 10.0 112.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 129.2 55.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 110.637 -2.983 . . . . 10.0 114.149 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -146.28 60.78 6.52 Favored Pre-proline 0 CA--C 1.507 -0.705 0 CA-C-N 111.468 -2.605 . . . . 10.0 108.558 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 5.5 Cg_endo -66.38 168.63 15.73 Favored 'Trans proline' 0 CA--C 1.512 -0.592 0 O-C-N 126.445 2.813 . . . . 10.0 113.617 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.15 163.5 13.28 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 110.014 -3.266 . . . . 10.0 109.385 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -125.67 131.57 52.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 126.802 2.564 . . . . 10.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.39 118.36 33.64 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.502 -2.59 . . . . 10.0 108.697 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.646 HD12 ' CH2' ' A' ' 8' ' ' TRP . 17.0 mt -123.52 124.29 69.28 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 O-C-N 125.798 1.936 . . . . 10.0 111.255 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.81 68.43 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 127.149 2.781 . . . . 10.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 4' ' ' PHE . 4.6 tt0 -50.73 121.27 5.63 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 125.864 1.978 . . . . 10.0 112.92 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -120.93 86.51 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 127.432 2.957 . . . . 10.0 112.919 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.22 -146.17 28.89 Favored Glycine 0 CA--C 1.494 -1.273 0 CA-C-O 125.203 2.557 . . . . 10.0 110.469 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -55.57 -34.49 64.82 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 111.807 -2.196 . . . . 10.0 108.796 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.32 158.22 19.72 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.07 -1.877 . . . . 10.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -135.5 127.05 28.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.838 2.586 . . . . 10.0 109.692 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -101.43 131.6 48.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 CA-C-N 113.89 -1.505 . . . . 10.0 111.894 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.74 126.68 65.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.524 1.765 . . . . 10.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.772 ' HG3' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -117.11 161.57 19.21 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.814 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -148.46 107.63 3.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 110.562 -3.017 . . . . 10.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.83 87.04 2.44 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 123.618 1.675 . . . . 10.0 111.568 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -37.2 9.34 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 111.881 -2.418 . . . . 10.0 113.42 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 92.94 -7.93 0.16 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 127.678 3.111 . . . . 10.0 111.29 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 t80 -78.77 -20.12 50.62 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 112.634 -2.075 . . . . 10.0 112.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.89 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.355 0.819 0 O-C-N 127.619 3.074 . . . . 10.0 114.196 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 77.56 153.48 0.14 Allowed 'General case' 0 CA--C 1.494 -1.207 1 O-C-N 130.185 4.678 . . . . 10.0 113.519 177.148 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -170.16 101.19 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 125.472 2.558 . . . . 10.0 114.208 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.772 HD12 ' HG3' ' A' ' 52' ' ' ARG . 4.3 mm -96.28 161.67 2.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-N 111.831 -2.44 . . . . 10.0 108.388 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 -69.17 0.25 Allowed 'General case' 0 C--O 1.211 -0.951 0 O-C-N 126.068 2.105 . . . . 10.0 111.369 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 76.71 104.31 0.07 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.505 -2.589 . . . . 10.0 109.737 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CD2' HG21 ' A' ' 86' ' ' VAL . 1.6 m-85 -84.98 153.12 22.97 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 113.743 -1.572 . . . . 10.0 114.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -132.87 111.96 11.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 113.545 -1.661 . . . . 10.0 109.134 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.07 148.93 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 126.265 2.228 . . . . 10.0 110.743 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.68 21.99 7.76 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-N 113.677 -1.601 . . . . 10.0 114.562 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -132.63 154.16 50.36 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 124.26 1.981 . . . . 10.0 111.615 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 84' ' ' THR . 22.4 tp10 -96.36 151.77 19.22 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.005 -2.362 . . . . 10.0 109.924 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.489 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 9.9 p90 -167.9 160.83 12.59 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.204 -1.816 . . . . 10.0 110.113 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -74.09 155.77 38.13 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.875 -2.875 . . . . 10.0 109.965 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.556 ' OE2' HD11 ' A' ' 74' ' ' LEU . 7.2 tt0 -118.6 51.81 1.08 Allowed 'General case' 0 C--O 1.208 -1.091 0 O-C-N 127.786 3.179 . . . . 10.0 114.233 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.7 116.41 2.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 110.745 -2.934 . . . . 10.0 107.742 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.556 HD11 ' OE2' ' A' ' 72' ' ' GLU . 1.7 mt -111.71 9.81 20.95 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 126.849 2.593 . . . . 10.0 113.443 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.53 HG23 ' OD1' ' A' ' 79' ' ' ASP . 7.3 m -57.36 127.25 31.02 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 126.027 2.079 . . . . 10.0 107.558 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.03 14.95 Favored Glycine 0 C--O 1.222 -0.651 0 O-C-N 125.777 1.923 . . . . 10.0 109.174 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.506 HG23 H183 ' A' ' 135' ' ' RTL . 4.1 mp -117.84 -70.16 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 127.751 2.677 . . . . 10.0 112.355 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -137.96 20.87 2.84 Favored 'General case' 0 C--O 1.207 -1.144 0 O-C-N 125.193 1.558 . . . . 10.0 113.698 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 75' ' ' THR . 3.5 m-20 41.2 85.49 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 125.273 1.608 . . . . 10.0 114.679 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.417 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.9 mmp_? -148.06 156.06 42.2 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 111.673 -2.512 . . . . 10.0 111.204 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -140.56 100.86 3.97 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 109.936 -3.302 . . . . 10.0 111.594 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.25 167.97 20.89 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 114.402 -1.272 . . . . 10.0 112.766 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 140.61 29.85 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 126.089 2.118 . . . . 10.0 111.577 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.489 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 95.2 m -131.57 129.18 40.63 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 112.253 -2.249 . . . . 10.0 113.951 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 151.85 38.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 111.563 -2.562 . . . . 10.0 108.681 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 64' ' ' PHE . 67.1 t -133.14 127.66 54.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.03 0 CA-C-N 113.569 -1.65 . . . . 10.0 108.452 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -133.23 141.79 48.22 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 110.082 -3.236 . . . . 10.0 112.281 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -79.75 113.29 17.79 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.755 2.534 . . . . 10.0 113.34 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -40.97 18.95 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-O 124.565 2.126 . . . . 10.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.88 107.22 1.16 Allowed Glycine 0 C--O 1.208 -1.497 0 CA-C-N 110.92 -2.855 . . . . 10.0 110.705 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.9 m-20 61.4 21.43 12.0 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 126.006 1.651 . . . . 10.0 112.449 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 92.79 0.81 Allowed 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.305 2.253 . . . . 10.0 111.312 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.563 HD22 ' HZ ' ' A' ' 4' ' ' PHE . 4.7 tp -55.42 110.43 0.69 Allowed 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 127.906 3.254 . . . . 10.0 112.479 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -111.03 125.17 53.46 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 114.495 1.294 . . . . 10.0 114.495 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.413 ' SG ' HG22 ' A' ' 86' ' ' VAL . 5.0 m -121.83 137.06 54.92 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 126.8 2.563 . . . . 10.0 109.492 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.5 145.77 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 O-C-N 128.195 3.435 . . . . 10.0 109.705 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -111.57 102.34 10.68 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 128.095 3.372 . . . . 10.0 108.848 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -36.8 -38.28 0.17 Allowed 'General case' 0 C--O 1.21 -1.02 0 O-C-N 129.063 3.977 . . . . 10.0 112.446 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -9.28 -101.41 0.0 OUTLIER Glycine 0 CA--C 1.5 -0.894 1 O-C-N 130.744 5.028 . . . . 10.0 115.395 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -174.97 -46.39 0.01 OUTLIER 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.187 0.517 . . . . 10.0 111.855 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' CA ' ' HE3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -40.05 130.13 2.13 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 125.99 2.056 . . . . 10.0 112.735 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.83 109.53 18.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.37 -1.286 . . . . 10.0 110.331 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.39 -16.01 7.15 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.363 -1.744 . . . . 10.0 109.214 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.85 128.17 34.61 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 113.556 -1.322 . . . . 10.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.15 110.97 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 113.336 -1.756 . . . . 10.0 112.566 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.405 ' NE1' ' HG2' ' A' ' 119' ' ' MET . 2.4 m0 -66.13 160.14 24.68 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 124.454 2.074 . . . . 10.0 114.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.28 142.8 22.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.397 -3.092 . . . . 10.0 108.536 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -128.24 -170.22 2.21 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 110.433 -3.076 . . . . 10.0 111.924 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -163.81 -63.85 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 123.635 1.683 . . . . 10.0 113.431 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.533 HD12 ' HB ' ' A' ' 2' ' ' VAL . 42.1 mt 70.81 106.93 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-N 113.622 -1.626 . . . . 10.0 110.997 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.08 -32.15 8.84 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 111.311 -2.677 . . . . 10.0 114.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.66 110.95 3.47 Favored Glycine 0 C--O 1.22 -0.746 0 O-C-N 128.05 3.344 . . . . 10.0 109.999 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 75.61 35.16 0.55 Allowed 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.291 2.995 . . . . 10.0 110.047 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 154.94 126.52 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.749 1 O-C-N 129.736 4.398 . . . . 10.0 111.912 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.491 HD21 HG23 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -111.23 166.91 10.69 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 126.242 2.214 . . . . 10.0 107.173 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -151.8 103.41 2.93 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 127.87 3.231 . . . . 10.0 111.325 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.696 HD23 ' HZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -104.44 136.09 44.65 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 126.702 2.501 . . . . 10.0 108.866 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -109.53 85.51 2.12 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 125.515 1.76 . . . . 10.0 111.337 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.484 ' CG ' HD11 ' A' ' 117' ' ' LEU . 4.9 mtm -74.15 127.21 32.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 O-C-N 125.711 1.882 . . . . 10.0 109.074 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 7.2 mtm180 -138.55 150.21 46.11 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.59 -3.005 . . . . 10.0 111.75 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.633 ' O ' HG22 ' A' ' 124' ' ' VAL . . . 173.85 122.22 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.158 2.787 . . . . 10.0 110.297 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 79.9 0.37 2.11 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 124.911 1.382 . . . . 10.0 113.579 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 114.61 -1.98 23.34 Favored Glycine 0 C--O 1.218 -0.888 0 O-C-N 126.342 2.276 . . . . 10.0 114.849 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 121' ' ' ALA . 33.9 m -88.0 172.8 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-O 124.068 1.889 . . . . 10.0 110.013 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -143.99 87.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 111.017 -2.811 . . . . 10.0 114.071 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.2 129.26 40.87 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 126.678 2.486 . . . . 10.0 109.745 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.21 126.56 39.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 112.07 -2.332 . . . . 10.0 112.862 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.544 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 67.9 mt-30 -116.51 91.96 3.74 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-N 111.463 -2.608 . . . . 10.0 107.919 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 129' ' ' VAL . 0.3 OUTLIER -79.27 90.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 127.103 2.752 . . . . 10.0 108.919 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.696 ' HZ ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -84.81 -175.69 5.89 Favored 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 127.192 2.808 . . . . 10.0 109.576 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -145.63 132.21 19.84 Favored 'General case' 0 CA--C 1.5 -0.97 0 O-C-N 125.723 1.89 . . . . 10.0 111.372 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -83.22 132.91 35.03 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 127.403 2.94 . . . . 10.0 108.991 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.4 t -90.48 -15.79 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 114.703 -1.135 . . . . 10.0 112.102 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.1 t60 . . . . . 0 C--O 1.259 1.571 0 CA-C-O 117.339 -1.315 . . . . 10.0 110.341 -179.856 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.697 H182 HD21 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.51 2.476 0 N-CA-C 107.97 -1.589 . . . . 10.0 107.97 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 t -113.37 120.32 63.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 112.075 -2.33 . . . . 10.0 109.251 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -119.05 104.71 10.72 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 127.215 2.822 . . . . 10.0 112.239 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 42' ' ' ILE . 6.3 m-85 -78.54 -46.14 20.19 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 111.267 -2.697 . . . . 10.0 109.048 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -40.24 146.17 0.14 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 128.219 3.449 . . . . 10.0 113.104 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.513 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 134.5 -110.57 0.86 Allowed Glycine 0 C--N 1.342 0.894 0 CA-C-N 109.896 -3.32 . . . . 10.0 114.93 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.455 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -153.8 125.44 7.64 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 116.178 -2.209 . . . . 10.0 112.834 -179.689 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.648 ' CE3' ' HA ' ' A' ' 41' ' ' GLU 0.277 0.9 OUTLIER -117.87 127.33 53.76 Favored 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 130.505 4.878 . . . . 10.0 113.999 -178.312 . . . . . . . . 5 4 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -133.4 147.95 51.78 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 125.133 1.521 . . . . 10.0 107.543 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttt -76.16 146.48 39.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 123.507 1.623 . . . . 10.0 114.695 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.422 HD13 ' HD2' ' A' ' 131' ' ' LYS . 5.3 tp -120.86 -42.14 2.52 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 111.742 -2.481 . . . . 10.0 114.049 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -173.93 171.61 3.63 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 125.687 1.867 . . . . 10.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 137.67 50.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.541 -1.663 . . . . 10.0 108.333 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.69 -54.23 3.86 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 126.029 2.081 . . . . 10.0 113.646 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -152.19 41.19 0.64 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.091 -1.413 . . . . 10.0 110.407 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.861 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -76.09 -23.64 55.0 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-O 122.557 1.17 . . . . 10.0 112.452 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -71.63 -43.26 66.45 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 112.506 -2.134 . . . . 10.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -75.23 -27.18 59.4 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.087 1.422 . . . . 10.0 111.059 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.74 -44.51 96.02 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 113.241 -1.799 . . . . 10.0 113.988 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.861 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 19.6 mt -60.32 -22.01 62.7 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.546 1.641 . . . . 10.0 113.612 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -33.01 74.93 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 125.874 2.75 . . . . 10.0 114.147 -179.702 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.94 85.46 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.452 -2.158 . . . . 10.0 115.557 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.636 ' HB2' HG23 ' A' ' 25' ' ' VAL . 1.7 mt -91.77 14.53 15.12 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.611 1.196 . . . . 10.0 112.662 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 55.43 35.56 25.3 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 124.23 1.967 . . . . 10.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 23' ' ' LEU . 69.4 t -66.51 134.49 29.9 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.07 0 CA-C-N 111.655 -2.52 . . . . 10.0 108.044 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -46.58 161.18 0.06 Allowed 'General case' 0 C--O 1.214 -0.795 0 O-C-N 125.918 2.011 . . . . 10.0 114.545 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.16 -32.58 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 0 O-C-N 125.307 1.629 . . . . 10.0 110.215 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.4 73.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 126.232 2.207 . . . . 10.0 114.73 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -31.6 61.07 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-N 113.708 -1.587 . . . . 10.0 112.32 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -75.05 -31.5 61.31 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.489 -1.232 . . . . 10.0 109.461 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -68.19 -39.15 82.57 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.975 -2.375 . . . . 10.0 112.073 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 mt -71.72 -29.28 33.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 CA-C-N 111.316 -2.674 . . . . 10.0 112.524 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.99 63.55 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 111.946 -2.388 . . . . 10.0 114.746 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -66.36 -20.97 66.22 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.881 -1.509 . . . . 10.0 114.154 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.69 -1.19 12.17 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 126.031 2.082 . . . . 10.0 114.182 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 32' ' ' ILE . 1.8 mm? -99.82 143.67 29.77 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 126.886 2.616 . . . . 10.0 114.069 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.77 86.06 3.92 Favored Pre-proline 0 C--O 1.209 -1.068 0 O-C-N 126.834 2.584 . . . . 10.0 108.77 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -78.22 173.05 14.44 Favored 'Trans proline' 0 CA--C 1.506 -0.921 0 O-C-N 128.074 3.671 . . . . 10.0 110.544 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 54' ' ' LEU . 5.5 m-20 -122.53 138.61 54.51 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 111.655 -2.521 . . . . 10.0 108.964 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -94.48 168.69 10.71 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 114.464 -1.244 . . . . 10.0 110.688 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.648 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 24.8 tt0 -151.64 89.5 1.49 Allowed 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 128.674 3.734 . . . . 10.0 111.662 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 4' ' ' PHE . 23.3 mm -76.81 159.2 5.19 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-O 123.203 1.478 . . . . 10.0 109.934 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 43' ' ' VAL . 54.2 t -151.43 90.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-O 123.998 1.856 . . . . 10.0 113.352 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -76.33 126.96 31.93 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 110.774 -2.921 . . . . 10.0 109.723 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -110.48 -71.91 0.74 Allowed 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 124.186 1.946 . . . . 10.0 110.849 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.0 102.71 0.19 Allowed Glycine 0 C--O 1.221 -0.704 0 N-CA-C 108.589 -1.805 . . . . 10.0 108.589 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 82.21 17.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 129.045 3.438 . . . . 10.0 108.751 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -151.71 176.52 11.31 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 125.43 1.706 . . . . 10.0 108.561 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.4 ttm -168.91 122.98 0.84 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-N 110.985 -2.825 . . . . 10.0 114.379 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.82 129.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 O-C-N 126.495 2.372 . . . . 10.0 108.553 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -112.5 112.33 40.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 110.357 -3.11 . . . . 10.0 112.38 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' HG3' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -112.76 143.19 44.41 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 125.473 2.558 . . . . 10.0 111.574 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -126.41 117.33 22.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 110.995 -2.82 . . . . 10.0 108.086 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -114.73 105.51 13.12 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.967 -1.924 . . . . 10.0 113.672 -179.504 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -123.96 179.64 4.76 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 112.852 -1.976 . . . . 10.0 109.531 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -93.4 -10.89 33.65 Favored 'General case' 0 CA--C 1.507 -0.7 0 O-C-N 127.238 2.836 . . . . 10.0 108.78 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -94.17 -28.14 15.82 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.304 -1.358 . . . . 10.0 113.276 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 175.7 156.07 0.2 Allowed 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 124.235 1.969 . . . . 10.0 111.917 179.617 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -108.5 104.89 14.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.694 -2.957 . . . . 10.0 111.396 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.24 128.98 39.44 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.168 -0.924 . . . . 10.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 62' ' ' MET . 3.0 mm -121.24 162.41 20.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 O-C-N 124.604 1.19 . . . . 10.0 112.509 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.533 ' N ' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER 177.46 129.3 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 114.737 -1.12 . . . . 10.0 109.796 -179.541 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.85 113.95 27.86 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.19 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -97.91 112.0 24.09 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 124.574 2.131 . . . . 10.0 115.278 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -103.96 119.19 38.4 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 112.96 -1.927 . . . . 10.0 108.693 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.83 125.21 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 CA-C-N 111.583 -2.553 . . . . 10.0 114.221 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.56 90.13 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.801 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -106.73 136.88 45.79 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 113.551 -1.324 . . . . 10.0 107.911 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.14 120.61 41.02 Favored 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 127.595 3.059 . . . . 10.0 109.138 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -136.8 161.85 34.85 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 125.935 2.022 . . . . 10.0 112.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.67 149.43 41.94 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 110.883 -2.871 . . . . 10.0 109.086 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -118.31 144.11 46.09 Favored 'General case' 0 C--O 1.209 -1.035 1 O-C-N 129.268 4.105 . . . . 10.0 110.248 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -121.23 95.36 4.66 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 111.332 -2.667 . . . . 10.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD13 HH22 ' A' ' 104' ' ' ARG . 7.6 mt -94.05 56.23 2.21 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 125.856 1.973 . . . . 10.0 111.204 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.1 p -95.23 119.89 34.52 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 109.419 -3.537 . . . . 10.0 109.096 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.77 -10.7 12.26 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 108.428 -1.869 . . . . 10.0 108.428 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.1 -67.9 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 113.519 -1.34 . . . . 10.0 111.647 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -114.21 -32.65 5.92 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 127.385 2.928 . . . . 10.0 113.127 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 80.25 79.21 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 124.546 2.117 . . . . 10.0 109.369 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -177.63 176.54 1.24 Allowed 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 112.466 -2.152 . . . . 10.0 109.98 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 5.0 mtpp -138.29 153.81 49.04 Favored 'General case' 0 CA--C 1.497 -1.08 0 C-N-CA 118.16 -1.416 . . . . 10.0 112.25 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 p -144.28 165.89 26.6 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 124.68 2.181 . . . . 10.0 113.08 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.2 mtt -105.7 119.88 40.27 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 111.554 -2.566 . . . . 10.0 109.83 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -108.01 144.45 35.31 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.417 -1.265 . . . . 10.0 113.568 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.76 123.11 11.62 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.871 3.232 . . . . 10.0 109.622 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 50.0 t -98.85 117.59 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 123.931 1.824 . . . . 10.0 112.776 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 t -130.78 78.0 1.82 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.22 -2.718 . . . . 10.0 111.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 0.1 OUTLIER -48.07 146.38 2.62 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 110.488 -3.051 . . . . 10.0 110.498 179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.58 96.17 3.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 124.829 2.252 . . . . 10.0 111.866 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.57 -122.17 9.24 Favored Glycine 0 N--CA 1.471 1.016 0 CA-C-N 110.872 -2.876 . . . . 10.0 110.988 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.35 2.94 48.81 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 124.428 1.091 . . . . 10.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -116.29 150.31 37.83 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 124.716 2.198 . . . . 10.0 111.869 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 105.07 11.63 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 112.224 -2.262 . . . . 10.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -97.12 150.32 20.98 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 127.958 3.286 . . . . 10.0 112.891 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.0 m -144.48 121.3 11.25 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 112.982 -1.917 . . . . 10.0 113.438 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.73 136.43 56.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 112.449 -2.16 . . . . 10.0 110.43 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.473 ' HG3' ' HA2' ' A' ' 105' ' ' GLY . 2.9 mt-30 -121.43 137.7 54.6 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 114.777 -1.101 . . . . 10.0 108.968 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -111.46 83.14 1.72 Allowed 'General case' 0 C--O 1.21 -0.997 0 O-C-N 128.233 3.458 . . . . 10.0 112.858 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.61 -68.51 1.31 Allowed Glycine 0 C--O 1.211 -1.329 0 CA-C-N 110.625 -2.989 . . . . 10.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 175.02 -41.85 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 124.71 2.195 . . . . 10.0 110.275 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -75.69 152.47 37.51 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 111.916 -2.402 . . . . 10.0 108.864 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -93.69 146.25 23.98 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 127.138 2.774 . . . . 10.0 112.415 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.66 46.25 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 110.096 -3.229 . . . . 10.0 112.52 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.401 HH22 HD13 ' A' ' 74' ' ' LEU . 35.8 mtp85 -55.6 114.23 1.77 Allowed 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.123 2.308 . . . . 10.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.473 ' HA2' ' HG3' ' A' ' 97' ' ' GLN . . . 140.11 146.51 4.85 Favored Glycine 0 C--O 1.219 -0.809 0 N-CA-C 108.346 -1.901 . . . . 10.0 108.346 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.463 ' CH2' H151 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -129.54 168.45 16.37 Favored 'General case' 0 C--O 1.208 -1.129 0 CA-C-O 122.574 1.178 . . . . 10.0 113.703 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.4 m -128.48 146.43 50.82 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 110.389 -3.096 . . . . 10.0 108.993 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.34 134.93 53.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 129.006 3.941 . . . . 10.0 110.344 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -157.88 106.09 2.02 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.574 -2.103 . . . . 10.0 113.462 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.94 142.41 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-N 111.157 -2.747 . . . . 10.0 109.923 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -124.08 70.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.084 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.15 -90.64 1.11 Allowed Glycine 0 N--CA 1.471 0.994 0 CA-C-O 123.247 1.471 . . . . 10.0 113.722 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.37 26.14 10.69 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.386 -0.907 . . . . 10.0 109.564 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -138.04 124.54 20.77 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 123.171 1.462 . . . . 10.0 112.436 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.6 tp -96.88 80.38 3.01 Favored 'General case' 0 CA--C 1.493 -1.228 0 CA-C-N 114.546 -1.206 . . . . 10.0 110.802 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -90.3 150.64 21.83 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 125.634 2.635 . . . . 10.0 114.523 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -153.01 151.82 30.7 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 111.988 -2.369 . . . . 10.0 110.192 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -112.56 116.52 30.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.531 -1.668 . . . . 10.0 110.126 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 mtt -102.25 159.43 15.41 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 113.995 -1.457 . . . . 10.0 108.589 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -155.18 139.33 16.52 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 113.819 -1.537 . . . . 10.0 111.705 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -158.55 115.57 2.82 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.066 2.104 . . . . 10.0 113.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 63.45 25.84 14.65 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.402 -3.09 . . . . 10.0 114.032 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.35 59.74 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 118.711 -1.709 . . . . 10.0 112.928 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.4 t -104.23 138.34 29.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -105.98 131.57 53.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 124.528 1.143 . . . . 10.0 113.145 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.96 127.05 9.06 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 125.591 1.807 . . . . 10.0 109.314 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 111.52 11.99 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 125.896 1.998 . . . . 10.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -76.2 145.84 39.54 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 112.429 -2.169 . . . . 10.0 107.701 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.79 84.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 O-C-N 126.744 2.527 . . . . 10.0 113.413 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -81.48 149.75 28.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 110.757 -2.929 . . . . 10.0 108.529 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.422 ' HD2' HD13 ' A' ' 11' ' ' LEU . 8.1 mttt -113.33 139.59 48.73 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 127.518 3.011 . . . . 10.0 112.577 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -80.85 122.91 27.8 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 112.432 -2.167 . . . . 10.0 111.218 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -95.64 -7.89 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 113.142 -1.845 . . . . 10.0 109.329 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.235 -1.348 . . . . 10.0 111.947 -179.783 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.52 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo . . . . . 0 N--CA 1.502 2.017 0 CA-C-O 125.087 2.036 . . . . 10.0 108.831 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.01 164.77 14.96 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 CA-C-N 112.125 -2.307 . . . . 10.0 110.178 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.26 143.61 49.06 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 125.215 1.572 . . . . 10.0 109.56 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -112.89 2.54 15.91 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.658 1.355 . . . . 10.0 114.658 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -69.61 131.94 45.42 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 117.927 -1.509 . . . . 10.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.36 -170.69 39.64 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 117.774 -2.155 . . . . 10.0 111.693 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -115.63 91.02 3.47 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 128.024 2.838 . . . . 10.0 108.415 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 130' ' ' PHE . 5.3 m0 -86.65 151.93 23.01 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.314 -1.766 . . . . 10.0 109.004 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 4.1 ptmt 173.93 157.53 0.14 Allowed 'General case' 0 C--O 1.213 -0.851 0 O-C-N 127.452 2.97 . . . . 10.0 113.76 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.9 ttm 65.98 86.67 0.13 Allowed 'General case' 0 CA--C 1.497 -1.076 0 CA-C-O 124.563 2.125 . . . . 10.0 115.362 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -112.39 101.68 9.86 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.355 -2.202 . . . . 10.0 109.836 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t -48.74 94.93 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 111.514 -2.585 . . . . 10.0 109.632 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LEU . 32.4 m120 -44.71 131.68 6.76 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.415 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -148.96 111.67 4.8 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 127.159 2.787 . . . . 10.0 111.214 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 61.53 23.42 13.7 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-O 125.112 2.387 . . . . 10.0 110.328 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.53 -39.33 62.42 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 109.295 -3.593 . . . . 10.0 113.565 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.9 -29.98 39.99 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 113.346 -1.752 . . . . 10.0 109.409 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -74.49 -20.27 60.06 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 124.461 2.077 . . . . 10.0 110.523 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -78.06 -24.43 47.71 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 111.618 -2.537 . . . . 10.0 112.79 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.682 HD21 H182 ' A' ' 135' ' ' RTL . 89.9 mt -73.43 -26.62 61.03 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.872 -1.058 . . . . 10.0 112.931 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.58 -23.0 58.68 Favored 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.377 2.923 . . . . 10.0 112.622 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -27.08 64.73 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.634 1.683 . . . . 10.0 111.296 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.62 8.97 33.39 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 113.843 -1.526 . . . . 10.0 113.664 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 51.92 64.82 1.7 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 114.05 -1.432 . . . . 10.0 114.386 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -112.7 152.43 14.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 114.788 -1.096 . . . . 10.0 109.237 179.812 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -34.45 134.67 0.2 Allowed 'General case' 0 N--CA 1.474 0.748 1 O-C-N 130.027 4.579 . . . . 10.0 111.532 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -22.29 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 O-C-N 126.856 2.597 . . . . 10.0 113.801 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.26 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 110.549 -3.023 . . . . 10.0 113.231 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -23.88 63.49 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 125.048 2.356 . . . . 10.0 113.032 179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -79.8 -28.09 40.27 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 111.548 -2.569 . . . . 10.0 110.497 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.24 67.02 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 125.181 2.42 . . . . 10.0 114.239 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.497 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -74.69 -35.23 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-N 111.362 -2.654 . . . . 10.0 114.172 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -27.1 66.22 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.151 -2.295 . . . . 10.0 114.986 -179.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.57 -24.25 63.67 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 123.475 1.607 . . . . 10.0 112.169 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.05 17.64 17.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 123.172 1.463 . . . . 10.0 113.285 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 36' ' ' LEU . 11.2 tp -101.03 92.06 4.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.983 -1.917 . . . . 10.0 114.028 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -103.22 109.27 61.33 Favored Pre-proline 0 N--CA 1.476 0.858 0 CA-C-N 110.723 -2.944 . . . . 10.0 106.632 179.449 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.283 0.0 OUTLIER -112.25 -168.13 0.02 OUTLIER 'Trans proline' 0 CA--C 1.492 -1.579 0 C-N-CA 121.698 1.599 . . . . 10.0 114.732 -178.59 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 9' ' ' LYS . 11.1 p-10 -133.55 170.63 15.23 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 112.461 -2.154 . . . . 10.0 108.015 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -146.53 142.02 27.6 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 112.183 -2.28 . . . . 10.0 111.498 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.93 92.5 3.55 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.401 -2.181 . . . . 10.0 111.728 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.51 135.05 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-N 111.534 -2.575 . . . . 10.0 109.744 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.8 101.08 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 O-C-N 128.168 3.418 . . . . 10.0 113.147 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -96.97 116.85 29.93 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 122.033 0.92 . . . . 10.0 112.549 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.14 -10.16 16.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 113.212 -1.813 . . . . 10.0 111.55 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.05 118.54 3.83 Favored Glycine 0 N--CA 1.446 -0.672 0 O-C-N 126.329 2.268 . . . . 10.0 109.08 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 60.22 27.83 17.37 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 127.5 2.53 . . . . 10.0 108.046 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -170.59 129.11 0.82 Allowed 'General case' 0 C--O 1.209 -1.04 0 O-C-N 127.392 2.932 . . . . 10.0 111.236 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -143.93 106.97 4.5 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 113.649 -1.614 . . . . 10.0 112.954 179.646 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.36 110.72 20.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 123.617 1.675 . . . . 10.0 109.746 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.534 HD13 H152 ' A' ' 135' ' ' RTL . 2.4 mt -101.78 111.04 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 CA-C-O 124.527 2.108 . . . . 10.0 108.603 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -110.39 119.4 39.07 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-N 112.961 -1.927 . . . . 10.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -107.2 121.48 44.62 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 111.573 -2.558 . . . . 10.0 108.67 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.8 mt -112.23 64.38 0.63 Allowed 'General case' 0 C--O 1.211 -0.957 0 CA-C-O 123.484 1.612 . . . . 10.0 114.458 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.3 p -68.16 -18.11 64.52 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 113.347 -1.751 . . . . 10.0 110.401 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m 63.62 19.42 11.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.699 -1.137 . . . . 10.0 109.525 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 3.0 t80 -120.23 1.81 10.82 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 126.902 2.626 . . . . 10.0 113.328 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 170.67 -32.27 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.167 0 O-C-N 126.974 2.672 . . . . 10.0 113.026 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m120 71.63 99.88 0.07 Allowed 'General case' 0 CA--C 1.495 -1.154 2 O-C-N 131.208 5.317 . . . . 10.0 114.464 176.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' C ' HD12 ' A' ' 61' ' ' ILE . 13.8 t80 -115.39 141.29 48.24 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 118.795 -1.162 . . . . 10.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.583 HD12 ' C ' ' A' ' 60' ' ' TYR . 4.9 mp -144.19 152.62 15.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 114.389 -1.278 . . . . 10.0 112.494 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.495 ' N ' HG22 ' A' ' 61' ' ' ILE . 2.1 mtm -153.57 158.4 41.15 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.456 2.973 . . . . 10.0 110.213 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.87 39.1 2.09 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 111.707 -2.497 . . . . 10.0 113.456 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.419 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -27.34 110.33 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 128.702 3.751 . . . . 10.0 114.245 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.64 136.05 54.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.98 1.847 . . . . 10.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.78 131.51 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.136 0 CA-C-N 110.231 -3.168 . . . . 10.0 113.424 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.45 29.36 60.53 Favored Glycine 0 C--O 1.209 -1.447 0 CA-C-N 114.857 -1.065 . . . . 10.0 113.933 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -93.69 -45.68 7.59 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.754 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 78.52 106.17 0.07 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 127.424 2.953 . . . . 10.0 109.5 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 18.6 p90 -141.82 172.56 12.52 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 112.031 -2.349 . . . . 10.0 113.608 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -91.78 132.05 36.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 124.217 1.961 . . . . 10.0 110.506 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -106.3 80.06 1.45 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 112.051 -2.34 . . . . 10.0 111.068 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.89 113.52 2.83 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 123.234 1.492 . . . . 10.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 tp -102.31 61.47 0.85 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 124.67 2.176 . . . . 10.0 111.775 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 143.35 30.09 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 110.513 -3.04 . . . . 10.0 109.001 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.11 -3.47 64.41 Favored Glycine 0 C--O 1.209 -1.439 0 O-C-N 126.836 2.585 . . . . 10.0 108.741 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.25 -67.29 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 112.059 -2.071 . . . . 10.0 108.786 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -140.55 9.42 2.23 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 113.577 -1.647 . . . . 10.0 114.735 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 45.08 75.75 0.1 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 124.455 2.074 . . . . 10.0 111.345 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -152.43 128.71 10.54 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 112.658 -2.065 . . . . 10.0 108.729 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -102.51 131.9 48.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 126.218 2.199 . . . . 10.0 108.721 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.6 m -143.01 134.16 25.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 127.415 2.947 . . . . 10.0 114.938 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.436 ' HB2' ' CB ' ' A' ' 98' ' ' LYS . 19.9 mtt -69.09 159.33 33.09 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 112.677 -2.056 . . . . 10.0 108.769 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 159.57 42.57 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 127.442 2.964 . . . . 10.0 114.076 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.05 158.4 36.4 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.31 -1.768 . . . . 10.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -140.24 116.36 8.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.087 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.2 m -126.96 101.85 6.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 112.216 -2.266 . . . . 10.0 111.896 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 165.58 22.02 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 126.197 2.186 . . . . 10.0 112.233 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.86 -51.48 2.36 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 108.896 -3.774 . . . . 10.0 109.727 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.76 -92.51 0.08 OUTLIER Glycine 0 C--O 1.209 -1.432 0 CA-C-N 111.859 -2.428 . . . . 10.0 113.702 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -44.29 96.9 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 123.65 1.691 . . . . 10.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 176.32 5.86 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 112.821 -1.991 . . . . 10.0 111.245 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.2 122.18 7.07 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 110.778 -2.919 . . . . 10.0 108.461 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.819 ' HB3' HG23 ' A' ' 107' ' ' THR . 0.3 OUTLIER -127.41 167.97 15.49 Favored 'General case' 0 CA--C 1.495 -1.157 0 O-C-N 128.849 3.843 . . . . 10.0 110.658 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.53 176.65 8.43 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.542 -2.572 . . . . 10.0 111.436 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.3 t -151.98 139.59 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 O-C-N 127.744 3.153 . . . . 10.0 109.002 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 104' ' ' ARG . 71.3 mt-30 -107.2 126.52 52.51 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 111.873 -2.421 . . . . 10.0 108.705 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.436 ' CB ' ' HB2' ' A' ' 83' ' ' MET . 46.7 mttt -104.97 81.55 1.75 Allowed 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 111.387 -2.642 . . . . 10.0 112.139 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.24 -103.87 1.94 Allowed Glycine 0 C--N 1.348 1.202 0 CA-C-N 110.26 -3.155 . . . . 10.0 113.874 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -161.03 -45.11 0.04 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 111.514 -2.343 . . . . 10.0 114.979 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -98.68 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 124.226 0.954 . . . . 10.0 111.474 179.778 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -178.18 166.85 1.96 Allowed 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 122.979 1.371 . . . . 10.0 112.593 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.13 38.51 67.0 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 109.563 -3.472 . . . . 10.0 114.567 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' CB ' ' HB2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -95.98 153.89 17.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.26 165.49 20.31 Favored Glycine 0 CA--C 1.493 -1.291 0 O-C-N 127.372 2.92 . . . . 10.0 109.536 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.62 2.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 123.593 1.663 . . . . 10.0 111.722 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.819 HG23 ' HB3' ' A' ' 94' ' ' GLN . 38.1 m -158.37 135.1 9.64 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.244 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.447 ' CG ' HD11 ' A' ' 115' ' ' LEU . 2.5 tt0 -110.82 144.76 39.32 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 113.811 -1.54 . . . . 10.0 108.213 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -158.74 95.8 1.33 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.022 -2.353 . . . . 10.0 112.983 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.556 ' HA ' HD22 ' A' ' 115' ' ' LEU . 6.4 mt -62.69 132.76 28.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 128.42 3.575 . . . . 10.0 113.197 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -141.12 81.56 1.79 Allowed 'General case' 0 C--O 1.219 -0.538 0 O-C-N 126.516 2.385 . . . . 10.0 114.085 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.18 -122.59 9.87 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 113.626 -1.625 . . . . 10.0 110.208 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.88 21.43 10.59 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 123.084 1.421 . . . . 10.0 112.376 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.52 123.05 11.08 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 113.348 -1.751 . . . . 10.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 116' ' ' HIS . 2.3 tm? -92.67 133.76 35.69 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.748 ' N ' HD13 ' A' ' 115' ' ' LEU . 7.8 t60 -98.37 107.83 20.39 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 128.081 3.363 . . . . 10.0 111.947 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.7 tp -112.46 134.32 54.05 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 112.245 -2.252 . . . . 10.0 114.524 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.45 106.08 6.88 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 113.772 -1.558 . . . . 10.0 110.322 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 mtt -107.39 124.24 49.54 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 112.771 -2.013 . . . . 10.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 81.6 mtt180 -112.13 162.65 15.2 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 125.415 1.697 . . . . 10.0 108.834 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 179.82 116.49 0.05 Allowed 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 125.618 1.824 . . . . 10.0 114.373 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.29 23.38 5.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 127.645 3.091 . . . . 10.0 114.215 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.43 8.64 59.67 Favored Glycine 0 CA--C 1.501 -0.816 0 CA-C-O 123.092 1.384 . . . . 10.0 112.667 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.32 133.64 66.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-O 122.64 1.21 . . . . 10.0 108.442 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 95.4 m -99.56 124.56 44.87 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 113.752 -1.567 . . . . 10.0 113.55 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.65 136.3 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 128.182 3.426 . . . . 10.0 108.717 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.94 143.73 48.39 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-O 123.011 1.386 . . . . 10.0 112.806 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -127.8 145.25 50.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.408 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.02 62.71 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.096 0 O-C-N 127.234 2.834 . . . . 10.0 114.047 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.789 ' HB3' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.65 139.93 42.99 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.759 -2.473 . . . . 10.0 111.371 -179.482 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.27 1.6 mmpt? -104.06 122.35 45.1 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 109.466 -3.516 . . . . 10.0 112.841 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -81.49 113.64 19.68 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 128.14 3.4 . . . . 10.0 110.109 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.4 HG21 ' HE2' ' A' ' 9' ' ' LYS . 22.2 t -84.01 -51.13 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 111.632 -2.531 . . . . 10.0 112.351 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--O 1.259 1.572 0 O-C-N 124.765 1.291 . . . . 10.0 113.18 179.98 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.714 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo . . . . . 0 N--CA 1.502 1.998 0 N-CA-C 111.469 -0.243 . . . . 10.0 111.469 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 110' ' ' ILE . 4.1 t -74.63 145.88 10.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.124 0 CA-C-O 123.223 1.487 . . . . 10.0 113.778 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -106.3 104.15 13.78 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 110.023 -3.262 . . . . 10.0 108.407 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' A' ' 42' ' ' ILE . 8.5 m-85 -76.17 -55.1 5.89 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 126.844 2.59 . . . . 10.0 108.778 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 47.0 t-20 -45.62 144.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.807 0 O-C-N 127.703 3.127 . . . . 10.0 113.151 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.514 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 138.0 -108.71 0.64 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 111.75 -2.477 . . . . 10.0 115.08 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.514 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -157.62 128.51 6.56 Favored 'General case' 0 C--O 1.209 -1.063 0 C-N-CA 116.244 -2.183 . . . . 10.0 112.896 -179.285 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HD1' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -127.45 105.28 8.4 Favored 'General case' 0 CA--C 1.502 -0.879 1 O-C-N 130.69 4.994 . . . . 10.0 113.704 -177.667 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -114.53 139.75 49.32 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 118.383 -1.327 . . . . 10.0 107.745 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttm -73.0 139.98 47.02 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.302 2.251 . . . . 10.0 111.981 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -112.63 -43.51 3.46 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 113.372 -1.74 . . . . 10.0 114.558 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -147.58 164.62 32.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 125.889 1.993 . . . . 10.0 113.571 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -125.44 121.13 32.92 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 128.115 3.384 . . . . 10.0 110.334 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -121.86 126.7 49.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.213 -1.812 . . . . 10.0 109.497 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 58.63 30.25 19.63 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 111.429 -2.623 . . . . 10.0 112.997 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.459 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 32.0 t80 -76.9 -26.22 53.91 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 112.415 -2.175 . . . . 10.0 113.231 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.74 -35.75 38.33 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 112.305 -2.225 . . . . 10.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.16 -31.26 60.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.977 -1.465 . . . . 10.0 113.005 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -75.18 -29.44 60.38 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 110.923 -2.853 . . . . 10.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD22 HG11 ' A' ' 25' ' ' VAL . 11.8 mt -73.23 -27.23 61.48 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.308 -2.678 . . . . 10.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -22.26 57.65 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 110.524 -3.034 . . . . 10.0 109.832 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -65.68 -25.57 67.39 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.914 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.53 5.97 23.64 Favored 'General case' 0 CA--C 1.494 -1.199 0 O-C-N 126.927 2.642 . . . . 10.0 112.562 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.53 42.38 27.38 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 123.381 1.563 . . . . 10.0 114.783 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 20' ' ' LEU . 42.4 t -69.37 128.76 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 111.286 -2.688 . . . . 10.0 112.069 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -47.42 154.37 0.43 Allowed 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.785 3.178 . . . . 10.0 113.364 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 t -66.9 -28.98 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.016 0 O-C-N 126.814 2.571 . . . . 10.0 115.356 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -73.48 -34.92 65.58 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 124.334 2.016 . . . . 10.0 113.779 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.0 -33.74 44.68 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 112.139 -2.3 . . . . 10.0 114.769 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.83 -22.2 59.86 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.85 1.786 . . . . 10.0 111.988 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -75.67 -48.06 23.64 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 109.684 -3.416 . . . . 10.0 110.043 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 28' ' ' ALA . 9.6 mt -65.77 -37.81 80.79 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 125.481 1.738 . . . . 10.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -73.5 -20.14 60.75 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 125.924 2.015 . . . . 10.0 113.82 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -65.44 -29.65 70.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 111.179 -2.737 . . . . 10.0 113.8 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.74 8.4 22.49 Favored 'General case' 0 C--O 1.209 -1.075 0 O-C-N 126.261 2.225 . . . . 10.0 111.265 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.02 130.75 48.66 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-N 111.203 -2.726 . . . . 10.0 113.441 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.29 79.32 37.05 Favored Pre-proline 0 CA--C 1.501 -0.915 0 CA-C-O 124.167 1.937 . . . . 10.0 109.32 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 5.2 Cg_endo -66.05 134.4 36.79 Favored 'Trans proline' 0 C--O 1.211 -0.861 0 CA-C-N 110.932 -2.203 . . . . 10.0 113.362 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.14 135.13 33.99 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 109.298 -3.592 . . . . 10.0 107.279 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -89.98 175.12 7.31 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 125.894 1.996 . . . . 10.0 114.053 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.653 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mt-10 -151.29 95.03 2.1 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 128.667 3.729 . . . . 10.0 112.935 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 4' ' ' PHE . 3.5 mp -86.46 153.43 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.035 0 CA-C-O 124.189 1.947 . . . . 10.0 109.058 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 80.1 t -139.74 84.76 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 CA-C-O 125.322 2.487 . . . . 10.0 111.267 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -74.07 111.66 9.45 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 111.799 -2.455 . . . . 10.0 112.832 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -141.29 74.39 1.46 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 111.539 -2.573 . . . . 10.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.78 -145.45 21.74 Favored Glycine 0 C--O 1.209 -1.457 0 CA-C-N 110.89 -2.868 . . . . 10.0 114.36 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -42.31 -42.63 3.2 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 111.261 -2.47 . . . . 10.0 113.972 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -103.61 171.61 7.26 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 125.196 2.427 . . . . 10.0 114.4 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.8 ttp -143.55 141.92 30.89 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 110.437 -3.074 . . . . 10.0 108.49 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.7 mt -129.83 120.08 49.09 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.015 0 O-C-N 127.147 2.779 . . . . 10.0 111.922 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -100.19 120.29 49.43 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 1 O-C-N 129.837 4.461 . . . . 10.0 112.182 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.639 ' HG3' HD12 ' A' ' 61' ' ' ILE . 2.4 mtt180 -111.27 133.33 53.68 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 128.067 3.354 . . . . 10.0 109.466 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 m -112.86 109.03 18.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 111.866 -2.425 . . . . 10.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.77 93.69 5.69 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 126.522 2.389 . . . . 10.0 109.574 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -116.17 -8.28 11.77 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 113.912 -1.495 . . . . 10.0 113.827 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 79.07 -62.48 0.31 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 128.211 3.444 . . . . 10.0 108.465 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -45.54 -39.91 8.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 127.035 2.709 . . . . 10.0 107.894 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -165.69 150.22 8.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 110.154 -3.203 . . . . 10.0 113.2 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -106.22 124.05 48.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.284 -2.235 . . . . 10.0 111.92 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.699 ' C ' HD13 ' A' ' 61' ' ' ILE . 7.5 t80 -128.45 120.37 26.75 Favored 'General case' 0 C--O 1.209 -1.047 0 O-C-N 125.372 1.67 . . . . 10.0 113.613 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.699 HD13 ' C ' ' A' ' 60' ' ' TYR . 1.6 mm -113.49 151.38 15.35 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 O-C-N 126.281 2.238 . . . . 10.0 112.856 -179.888 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.1 mtp -148.53 116.76 6.47 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 126.407 2.317 . . . . 10.0 108.28 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.27 96.71 10.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 111.672 -2.513 . . . . 10.0 109.212 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 86' ' ' VAL . 2.7 m-85 -99.3 103.02 14.82 Favored 'General case' 0 CA--C 1.502 -0.873 0 O-C-N 126.674 2.484 . . . . 10.0 113.655 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -99.84 91.31 4.77 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 126.949 2.656 . . . . 10.0 107.937 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG22 HG11 ' A' ' 86' ' ' VAL . 47.7 t -40.42 107.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 CA-C-N 111.917 -2.402 . . . . 10.0 114.301 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 4.92 28.55 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 111.293 -2.685 . . . . 10.0 113.457 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.93 141.07 52.14 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.062 -2.069 . . . . 10.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -97.73 119.41 36.26 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 124.897 2.284 . . . . 10.0 110.579 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.448 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 0.9 OUTLIER -123.41 156.57 35.2 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 110.939 -2.846 . . . . 10.0 110.578 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.16 108.12 19.55 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 110.314 -3.13 . . . . 10.0 110.681 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.4 mt-10 -83.55 113.41 20.8 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 113.314 -1.767 . . . . 10.0 114.154 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.56 116.71 32.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.182 2.176 . . . . 10.0 109.597 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HD12 ' A' ' 77' ' ' ILE . 14.7 mt -102.28 54.55 0.79 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.365 -2.198 . . . . 10.0 114.328 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 3.2 m -76.57 -12.03 59.96 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 126.882 2.614 . . . . 10.0 112.305 -179.516 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.71 14.77 56.18 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 110.492 -3.049 . . . . 10.0 108.978 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.682 HD12 HD22 ' A' ' 74' ' ' LEU . 70.4 mt -133.93 -66.45 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.029 0 O-C-N 126.515 1.95 . . . . 10.0 109.655 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -165.16 53.69 0.11 Allowed 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.805 -1.089 . . . . 10.0 109.824 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 47.8 p30 11.91 75.08 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.928 1 O-C-N 130.01 4.569 . . . . 10.0 114.78 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.71 120.03 28.42 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 110.053 -3.249 . . . . 10.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.38 125.06 50.73 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.934 2.646 . . . . 10.0 113.581 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -144.77 171.36 14.53 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 110.685 -2.961 . . . . 10.0 108.75 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.8 mtt -102.36 126.74 49.47 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 123.981 0.8 . . . . 10.0 110.147 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.448 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 71.7 m -119.85 141.87 49.16 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 112.776 -2.011 . . . . 10.0 113.819 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 86' ' ' VAL . 1.6 m -125.74 163.23 23.3 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.374 -1.284 . . . . 10.0 110.525 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.463 HG11 HG22 ' A' ' 66' ' ' VAL . 90.8 t -138.84 135.49 42.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-O 125.145 2.403 . . . . 10.0 114.307 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -124.93 154.52 41.02 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 109.93 -3.304 . . . . 10.0 111.045 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -121.21 107.92 13.15 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 126.853 2.596 . . . . 10.0 107.993 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.93 -13.99 16.7 Favored 'General case' 0 C--O 1.212 -0.918 0 O-C-N 126.928 2.643 . . . . 10.0 113.253 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.68 -133.11 3.94 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 124.525 1.141 . . . . 10.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -56.65 -43.91 80.78 Favored 'General case' 0 CA--C 1.494 -1.173 0 CA-C-O 126.104 2.859 . . . . 10.0 110.406 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -90.95 128.01 36.62 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 110.908 -2.86 . . . . 10.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.1 127.97 55.73 Favored 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.956 3.285 . . . . 10.0 109.617 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -137.85 158.2 44.85 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.498 1.124 . . . . 10.0 108.545 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 171.77 9.89 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 112.476 -2.147 . . . . 10.0 112.676 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.99 123.26 10.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 127.517 3.011 . . . . 10.0 108.332 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.8 119.81 32.74 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 127.548 3.03 . . . . 10.0 113.488 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -67.77 -174.59 0.46 Allowed 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.06 -2.336 . . . . 10.0 111.495 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 156.44 -145.85 12.9 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 112.893 -1.958 . . . . 10.0 113.31 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.99 28.92 2.3 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 127.513 2.537 . . . . 10.0 114.747 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -131.47 -144.55 0.25 Allowed 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 111.542 -2.572 . . . . 10.0 108.84 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -133.63 142.65 48.18 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 124.615 2.15 . . . . 10.0 111.792 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.76 -85.11 0.69 Allowed Glycine 0 C--O 1.212 -1.251 0 CA-C-N 113.314 -1.767 . . . . 10.0 112.841 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 27.02 89.91 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 O-C-N 129.977 3.986 . . . . 10.0 113.619 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 149.45 8.01 Favored Glycine 0 N--CA 1.465 0.616 0 O-C-N 125.643 1.839 . . . . 10.0 109.033 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.8 149.33 50.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.064 1.345 . . . . 10.0 114.105 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -138.97 137.51 36.45 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 126.141 2.15 . . . . 10.0 109.252 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.494 ' HG3' HD12 ' A' ' 117' ' ' LEU . 28.0 mt-30 -120.93 148.17 44.43 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 126.445 3.022 . . . . 10.0 112.801 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -166.05 99.12 0.64 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 112.697 -2.047 . . . . 10.0 112.481 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.523 HD12 HG11 ' A' ' 2' ' ' VAL . 9.4 mt -63.81 135.67 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 127.043 2.715 . . . . 10.0 109.605 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.75 -59.12 1.8 Allowed 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.471 1.732 . . . . 10.0 113.411 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.45 -76.01 0.02 OUTLIER Glycine 0 N--CA 1.463 0.439 0 CA-C-N 111.895 -2.412 . . . . 10.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.44 19.74 14.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 124.86 2.267 . . . . 10.0 108.75 -179.781 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -133.62 144.98 49.59 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.623 -1.626 . . . . 10.0 109.784 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.824 HD13 ' HD1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -102.98 47.92 0.87 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 128.016 3.322 . . . . 10.0 112.189 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -23.55 124.41 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.885 3.866 . . . . 10.0 114.137 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' ' 108' ' ' GLN . 13.2 tp -141.67 143.35 33.55 Favored 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 125.699 1.875 . . . . 10.0 113.941 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -134.16 111.88 10.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 110.108 -3.224 . . . . 10.0 113.636 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.0 mtm -109.89 137.83 47.11 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 124.576 1.172 . . . . 10.0 109.69 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 128.44 32.14 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 112.638 -2.073 . . . . 10.0 112.239 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.36 136.7 8.72 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 125.236 1.585 . . . . 10.0 113.656 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.64 20.4 10.33 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.88 -1.963 . . . . 10.0 113.771 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.05 21.3 65.73 Favored Glycine 0 C--O 1.211 -1.314 0 CA-C-N 112.261 -2.245 . . . . 10.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 22' ' ' ALA . 5.2 t -113.34 111.66 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.849 -0.797 . . . . 10.0 108.849 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.1 m -87.33 118.59 26.87 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 128.062 3.351 . . . . 10.0 109.527 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.3 t -116.15 149.65 38.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 124.624 2.154 . . . . 10.0 110.034 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -143.39 139.74 30.13 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 111.426 -2.625 . . . . 10.0 112.777 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -133.54 128.02 34.39 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.821 -1.082 . . . . 10.0 111.656 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.71 100.25 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 O-C-N 127.334 2.896 . . . . 10.0 114.588 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -84.52 175.6 9.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 127.092 2.745 . . . . 10.0 108.657 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.561 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.1 tptm -146.38 113.02 5.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 125.864 1.977 . . . . 10.0 114.192 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 113.73 15.73 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 112.447 -2.16 . . . . 10.0 111.424 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.81 -11.72 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 O-C-N 126.141 2.15 . . . . 10.0 113.455 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--O 1.249 1.078 0 O-C-N 127.083 2.739 . . . . 10.0 110.535 -179.984 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.556 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.514 2.689 0 N-CA-C 110.437 -0.64 . . . . 10.0 110.437 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 31.0 82.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.25 0 O-C-N 129.032 3.957 . . . . 10.0 112.042 -179.689 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.83 124.93 22.11 Favored 'General case' 0 C--N 1.343 0.295 0 O-C-N 127.518 3.011 . . . . 10.0 113.888 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 110' ' ' ILE . 16.9 m-30 -98.63 -9.34 24.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 126.621 2.45 . . . . 10.0 112.685 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -60.59 164.31 4.67 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 126.392 2.308 . . . . 10.0 112.711 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.95 -164.74 12.14 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 107.555 -2.218 . . . . 10.0 107.555 -179.278 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' HB3' ' CE ' ' A' ' 132' ' ' LYS . 2.4 m-85 -115.49 159.79 20.74 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 110.717 -2.741 . . . . 10.0 110.092 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.601 ' CD1' HD12 ' A' ' 42' ' ' ILE . 22.1 m95 -141.2 99.5 3.59 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 110.192 -3.186 . . . . 10.0 113.822 179.129 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HB3' ' HD3' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -98.49 144.25 28.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 116.905 -1.918 . . . . 10.0 108.006 178.82 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.476 ' HA ' ' CD2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.36 176.69 0.33 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 124.667 2.175 . . . . 10.0 113.863 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.29 -58.87 0.45 Allowed 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 110.056 -3.247 . . . . 10.0 110.461 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.33 163.47 3.76 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 112.014 -2.357 . . . . 10.0 111.7 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -112.03 -177.18 3.11 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 123.592 1.663 . . . . 10.0 113.961 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -175.83 106.16 0.08 Allowed 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 114.403 -1.271 . . . . 10.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t30 77.62 25.05 0.73 Allowed 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.916 -1.947 . . . . 10.0 110.105 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -68.18 -39.22 82.58 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 114.073 -1.421 . . . . 10.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -44.92 73.53 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 112.029 -2.35 . . . . 10.0 113.987 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -20.5 63.88 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 126.28 2.238 . . . . 10.0 114.352 -179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.95 -38.23 57.77 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.606 2.146 . . . . 10.0 111.365 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.11 -36.94 84.49 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 110.943 -2.844 . . . . 10.0 114.248 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -21.82 66.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.86 1.43 . . . . 10.0 114.86 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.14 -22.77 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 126.379 2.299 . . . . 10.0 113.067 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.83 3.35 33.8 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 126.7 2.5 . . . . 10.0 110.736 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 64.82 29.02 12.78 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 127.861 3.226 . . . . 10.0 112.699 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.97 147.59 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.348 2.905 . . . . 10.0 112.508 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.47 157.18 24.06 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 121.742 0.782 . . . . 10.0 112.422 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.33 -38.57 82.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 124.918 1.287 . . . . 10.0 112.637 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.01 97.77 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 123.528 1.632 . . . . 10.0 114.852 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -24.73 62.26 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-N 111.119 -2.764 . . . . 10.0 111.977 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -79.96 -30.45 39.84 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 114.709 -1.132 . . . . 10.0 111.863 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HD12 ' A' ' 35' ' ' LEU . 15.3 ttmm -78.71 -34.3 46.09 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 127.657 3.098 . . . . 10.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -74.54 -31.75 28.28 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.158 0 CA-C-N 114.711 -1.131 . . . . 10.0 109.477 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.11 60.67 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 124.083 1.897 . . . . 10.0 113.299 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.72 -34.7 78.42 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 110.305 -3.134 . . . . 10.0 113.664 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 31' ' ' LYS . 4.3 mt -94.82 0.08 54.56 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 113.255 -1.793 . . . . 10.0 112.176 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' A' ' 57' ' ' PHE . 8.6 mt -112.66 126.11 55.02 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 113.848 -1.524 . . . . 10.0 112.663 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -133.18 65.55 73.43 Favored Pre-proline 0 C--O 1.219 -0.539 0 CA-C-N 113.369 -1.741 . . . . 10.0 108.564 -179.625 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.08 164.2 17.62 Favored 'Trans proline' 0 CA--C 1.501 -1.139 0 C-N-CA 122.913 2.409 . . . . 10.0 114.007 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.17 126.37 53.57 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 126.434 2.334 . . . . 10.0 109.948 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.47 141.5 28.69 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 124.881 2.277 . . . . 10.0 111.306 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 12.1 tt0 -130.96 120.44 23.54 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.697 -2.501 . . . . 10.0 109.243 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' A' ' 8' ' ' TRP . 14.2 mt -113.86 139.98 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.751 -2.477 . . . . 10.0 111.83 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 50' ' ' ILE . 6.5 t -127.68 115.61 40.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 113.501 -1.681 . . . . 10.0 109.409 -179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -99.81 120.72 40.2 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -115.67 10.27 15.45 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 126.351 2.977 . . . . 10.0 111.477 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.62 -109.56 2.4 Favored Glycine 0 C--O 1.214 -1.146 0 CA-C-N 112.2 -2.273 . . . . 10.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -59.02 -42.06 89.26 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.868 -1.166 . . . . 10.0 109.392 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -86.7 158.61 19.39 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 126.52 2.388 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.5 ttm -166.69 130.7 2.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.444 2.965 . . . . 10.0 110.569 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG22 ' HB ' ' A' ' 43' ' ' VAL . 9.1 tt -113.59 151.18 15.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 113.107 -1.86 . . . . 10.0 109.676 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 119.33 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.804 0 CA-C-N 110.088 -3.233 . . . . 10.0 110.176 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.564 ' HD3' HG23 ' A' ' 61' ' ' ILE . 1.6 mpp_? -99.87 176.18 5.53 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 124.42 1.075 . . . . 10.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.453 HG21 H162 ' A' ' 135' ' ' RTL . 22.9 m -163.67 83.28 0.46 Allowed 'General case' 0 C--O 1.209 -1.071 0 O-C-N 128.327 3.517 . . . . 10.0 108.395 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 54' ' ' LEU . 89.2 mt -79.13 89.27 4.83 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 109.191 -3.641 . . . . 10.0 114.158 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 p -121.35 126.09 48.6 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 111.974 -2.375 . . . . 10.0 108.831 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.99 79.75 0.65 Allowed 'General case' 0 C--O 1.22 -0.493 0 O-C-N 125.233 1.583 . . . . 10.0 109.647 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.534 ' CE2' ' CB ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 173.27 -39.46 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 127.862 3.227 . . . . 10.0 111.201 -179.774 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' PHE . 29.8 ttm-85 -164.72 90.62 0.54 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 126.365 2.291 . . . . 10.0 114.098 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -64.53 124.88 22.98 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.332 -2.667 . . . . 10.0 107.155 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -91.94 -74.29 0.52 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 124.664 2.173 . . . . 10.0 115.268 -178.522 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG23 ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER 55.82 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.405 1 CA-C-N 108.38 -4.009 . . . . 10.0 112.987 -175.043 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.472 ' H ' HG22 ' A' ' 61' ' ' ILE . 2.0 ptm 176.37 136.57 0.06 Allowed 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.793 -2.458 . . . . 10.0 111.861 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.47 117.53 30.03 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 112.521 -2.127 . . . . 10.0 114.754 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.65 176.97 5.45 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 123.633 1.682 . . . . 10.0 109.858 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.28 133.22 11.45 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 112.023 -2.353 . . . . 10.0 109.324 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.91 128.37 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-O 124.822 2.249 . . . . 10.0 109.642 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.22 -28.5 4.19 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.441 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -80.68 161.39 24.65 Favored 'General case' 0 C--O 1.208 -1.121 0 N-CA-C 113.94 1.089 . . . . 10.0 113.94 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -120.94 116.78 25.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 127.629 3.08 . . . . 10.0 110.109 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 17.7 p90 -136.44 150.56 48.79 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.446 2.341 . . . . 10.0 114.35 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -65.69 148.95 50.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 112.138 -2.301 . . . . 10.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -129.15 158.57 38.61 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 126.839 2.587 . . . . 10.0 112.654 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.78 21.75 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.443 -2.162 . . . . 10.0 110.75 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -109.45 55.87 0.63 Allowed 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.588 2.43 . . . . 10.0 112.442 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 75' ' ' THR . 9.3 t -99.0 127.24 44.88 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 124.127 1.918 . . . . 10.0 112.52 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.25 -13.94 8.34 Favored Glycine 0 C--O 1.21 -1.383 0 CA-C-N 111.419 -2.628 . . . . 10.0 108.966 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 mt -113.46 -61.13 2.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 110.785 -2.707 . . . . 10.0 110.688 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -166.2 29.01 0.04 OUTLIER 'General case' 0 C--N 1.345 0.37 0 C-N-CA 117.939 -1.504 . . . . 10.0 113.463 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 22.91 86.52 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.433 0 O-C-N 127.66 3.1 . . . . 10.0 114.338 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HG2' ' CB ' ' A' ' 74' ' ' LEU . 17.5 ptt85 -140.68 52.93 1.61 Allowed 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 114.529 -1.214 . . . . 10.0 112.071 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -48.56 120.64 3.86 Favored 'General case' 0 CA--C 1.518 -0.273 0 O-C-N 128.097 3.373 . . . . 10.0 111.582 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.56 -178.14 5.04 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 113.16 -1.837 . . . . 10.0 108.682 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtt -102.89 141.04 36.37 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 112.183 -2.28 . . . . 10.0 107.863 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.859 HG23 ' HG2' ' A' ' 97' ' ' GLN . 17.6 m -130.63 147.62 52.33 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 125.964 2.04 . . . . 10.0 111.683 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 m -145.34 140.93 28.07 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.947 -1.933 . . . . 10.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.48 130.84 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 CA-C-O 126.962 3.268 . . . . 10.0 112.057 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.93 -175.65 4.04 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 111.209 -2.723 . . . . 10.0 109.433 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 136.39 44.55 Favored 'General case' 0 CA--C 1.505 -0.779 0 O-C-N 126.879 2.612 . . . . 10.0 112.27 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -19.95 33.26 Favored 'General case' 0 CA--C 1.5 -0.981 0 CA-C-N 112.311 -2.222 . . . . 10.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.35 -70.43 0.46 Allowed Glycine 0 N--CA 1.47 0.962 0 CA-C-N 112.372 -2.195 . . . . 10.0 111.113 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -95.36 -54.34 3.44 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 112.51 -1.845 . . . . 10.0 108.567 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -89.29 153.45 20.88 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 126.646 2.466 . . . . 10.0 111.048 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.48 127.19 52.87 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 110.681 -2.963 . . . . 10.0 110.055 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 129.1 51.89 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 125.81 1.944 . . . . 10.0 111.691 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 t -111.58 102.57 10.89 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.371 3.544 . . . . 10.0 113.103 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 p -100.2 153.99 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 O-C-N 125.537 1.773 . . . . 10.0 112.919 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.859 ' HG2' HG23 ' A' ' 84' ' ' THR . 12.2 mt-30 -119.03 164.74 15.04 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 114.127 -1.397 . . . . 10.0 109.056 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.57 44.05 1.13 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.58 146.3 18.83 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 118.487 -1.816 . . . . 10.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.16 -32.77 49.47 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 124.478 2.085 . . . . 10.0 110.121 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -63.37 160.51 15.91 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 110.525 -3.034 . . . . 10.0 111.713 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.54 146.41 40.51 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 113.347 -1.751 . . . . 10.0 113.653 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.47 -94.5 0.09 OUTLIER Glycine 0 C--N 1.348 1.196 0 CA-C-N 111.809 -2.451 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.59 25.12 4.62 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.56 -1.82 . . . . 10.0 111.086 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.35 141.11 13.09 Favored Glycine 0 N--CA 1.465 0.57 0 CA-C-O 124.923 2.402 . . . . 10.0 112.161 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -100.04 178.76 4.7 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.45 -2.375 . . . . 10.0 112.839 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.6 m -163.91 118.9 1.55 Allowed 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.393 -1.73 . . . . 10.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.08 162.45 18.58 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 125.703 2.668 . . . . 10.0 109.391 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -148.08 -53.01 0.19 Allowed 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.538 -3.028 . . . . 10.0 114.337 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 4' ' ' PHE . 3.3 mt 73.91 145.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 125.987 2.055 . . . . 10.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -155.26 80.07 1.05 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 123.762 1.744 . . . . 10.0 109.186 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.91 -112.09 3.82 Favored Glycine 0 N--CA 1.474 1.189 0 N-CA-C 107.379 -2.288 . . . . 10.0 107.379 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.4 14.0 14.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 123.185 1.469 . . . . 10.0 113.275 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -110.92 108.44 18.22 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.144 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.457 HD12 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -79.2 110.55 14.56 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.162 1.934 . . . . 10.0 111.788 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -98.35 91.37 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 110.816 -2.902 . . . . 10.0 109.846 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 118' ' ' GLU . 4.8 tp -112.56 131.39 55.63 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 127.191 2.807 . . . . 10.0 112.573 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.624 ' N ' HD12 ' A' ' 117' ' ' LEU . 97.8 mt-10 -119.79 110.42 16.76 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 112.881 -1.963 . . . . 10.0 107.879 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.549 ' HG2' HD11 ' A' ' 117' ' ' LEU . 21.3 mtp -103.33 163.57 12.18 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 113.607 -1.633 . . . . 10.0 114.267 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -150.23 152.62 34.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 111.024 -2.807 . . . . 10.0 108.968 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 179.27 114.72 0.04 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 113.254 -1.794 . . . . 10.0 112.307 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.8 3.75 4.25 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 128.127 3.392 . . . . 10.0 113.088 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 104.94 17.7 13.8 Favored Glycine 0 N--CA 1.467 0.765 0 O-C-N 126.723 2.515 . . . . 10.0 111.307 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.69 119.82 58.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 CA-C-O 124.967 2.318 . . . . 10.0 109.961 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.7 m -91.55 126.6 36.69 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 125.121 2.391 . . . . 10.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.35 144.52 40.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 112.846 -1.979 . . . . 10.0 110.821 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -131.19 148.7 52.74 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 124.084 1.897 . . . . 10.0 110.692 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -124.22 136.95 54.54 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 112.6 -2.091 . . . . 10.0 108.888 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.1 t -117.35 127.44 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.023 0 CA-C-O 125.14 2.4 . . . . 10.0 113.538 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 10' ' ' MET . 66.8 m-85 -118.19 152.91 34.77 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.735 -2.029 . . . . 10.0 109.167 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -155.12 86.46 1.1 Allowed 'General case' 0 C--O 1.207 -1.161 0 O-C-N 125.46 1.725 . . . . 10.0 107.129 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.606 ' HD2' ' N ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -68.62 -147.37 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 O-C-N 129.805 4.441 . . . . 10.0 115.412 -178.772 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.606 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 1.0 OUTLIER -150.09 -49.08 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.128 0 CA-C-N 115.239 -0.891 . . . . 10.0 113.01 -175.067 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.559 ' N ' HG12 ' A' ' 133' ' ' VAL . 12.7 m-70 . . . . . 0 C--O 1.257 1.477 0 CA-C-O 118.001 -1.0 . . . . 10.0 111.968 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.724 ' H8 ' H171 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 N--CA 1.513 2.628 0 CA-C-O 123.861 1.525 . . . . 10.0 110.356 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.7 t -148.52 -50.72 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 CA-C-N 112.12 -2.309 . . . . 10.0 112.921 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -29.97 118.17 0.15 Allowed 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 126.192 2.183 . . . . 10.0 113.965 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -89.89 -18.14 26.71 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 127.56 3.038 . . . . 10.0 110.174 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.91 151.78 11.08 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 125.629 1.83 . . . . 10.0 111.212 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.11 -165.86 16.88 Favored Glycine 0 C--O 1.214 -1.126 0 CA-C-N 113.392 -1.731 . . . . 10.0 109.785 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -116.35 134.1 55.26 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-N 113.752 -1.224 . . . . 10.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.3 m95 -132.29 113.2 12.94 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 125.298 1.624 . . . . 10.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.593 ' HG2' HG22 ' A' ' 133' ' ' VAL . 14.7 pttt -100.77 149.95 23.3 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 149.1 48.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.094 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -115.56 -56.53 2.33 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 124.978 2.323 . . . . 10.0 114.491 -179.473 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 p -141.88 178.63 7.37 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 110.965 -2.834 . . . . 10.0 109.195 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -132.28 158.64 41.32 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 111.32 -2.673 . . . . 10.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.39 109.58 1.13 Allowed 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 126.029 2.081 . . . . 10.0 113.358 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 23.95 3.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 126.997 2.685 . . . . 10.0 110.181 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.657 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 39.4 t80 -74.76 -40.57 61.15 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 112.876 -1.965 . . . . 10.0 111.962 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.22 -38.39 87.81 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.839 3.212 . . . . 10.0 113.571 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -28.43 62.39 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 179.65 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.49 -29.57 64.97 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.653 2.47 . . . . 10.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.657 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 93.0 mt -77.38 -33.69 55.14 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.726 1.891 . . . . 10.0 112.854 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -31.1 72.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.729 1.252 . . . . 10.0 113.721 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.0 89.91 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 109.994 -3.276 . . . . 10.0 113.376 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.2 1.08 54.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 113.332 -1.758 . . . . 10.0 110.475 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 56.21 65.48 1.42 Allowed 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 114.34 -1.3 . . . . 10.0 113.138 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.44 138.41 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 111.383 -2.644 . . . . 10.0 108.482 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -52.65 152.11 3.92 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 125.212 1.57 . . . . 10.0 113.936 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.66 -26.15 34.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-O 124.393 2.044 . . . . 10.0 113.559 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.34 60.47 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 110.219 -3.173 . . . . 10.0 110.178 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 tt -75.88 -26.02 56.66 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 110.683 -2.962 . . . . 10.0 109.547 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -79.09 -25.35 43.07 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-N 114.568 -1.196 . . . . 10.0 111.487 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -75.49 -39.77 58.13 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.663 -2.062 . . . . 10.0 109.317 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.4 mt -73.91 -29.19 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-N 111.516 -2.584 . . . . 10.0 112.196 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 16' ' ' PHE . . . -72.24 -22.69 61.2 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 125.263 1.602 . . . . 10.0 112.158 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -22.98 66.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.309 1.596 . . . . 10.0 115.309 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.48 35.19 4.91 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 112.433 -2.167 . . . . 10.0 111.622 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.691 HD21 ' HB2' ' A' ' 57' ' ' PHE . 1.1 tp -124.2 117.24 24.15 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 110.669 -2.969 . . . . 10.0 109.723 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -141.21 67.11 25.86 Favored Pre-proline 0 CA--C 1.5 -0.968 0 O-C-N 127.583 3.052 . . . . 10.0 112.622 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -52.82 164.77 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.31 2.673 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.03 112.17 15.57 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 110.418 -3.083 . . . . 10.0 111.49 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.53 146.29 29.29 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 110.931 -2.85 . . . . 10.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -133.01 104.93 6.78 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 111.478 -2.601 . . . . 10.0 108.726 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.2 mm -91.24 142.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 127.441 2.963 . . . . 10.0 110.766 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' A' ' 50' ' ' ILE . 8.8 p -136.65 49.42 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 O-C-N 126.357 2.285 . . . . 10.0 111.185 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 103.77 0.07 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.858 -2.883 . . . . 10.0 114.148 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -115.61 74.31 0.88 Allowed 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 126.166 2.166 . . . . 10.0 113.573 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.37 -121.89 6.39 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 126.779 2.549 . . . . 10.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -26.04 56.83 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 125.799 2.714 . . . . 10.0 114.142 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.65 146.48 25.28 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.17 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.2 ptm -152.68 144.0 23.25 Favored 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.069 3.356 . . . . 10.0 108.409 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.717 ' HB ' HG12 ' A' ' 43' ' ' VAL . 73.6 mt -118.38 112.55 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-O 125.247 2.451 . . . . 10.0 114.537 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mt -94.86 90.67 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-N 110.424 -3.08 . . . . 10.0 110.479 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.13 167.09 14.79 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 112.502 -2.136 . . . . 10.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.3 m -159.87 86.2 0.77 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.133 1.521 . . . . 10.0 109.05 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.7 mt -90.06 112.52 24.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.025 2.078 . . . . 10.0 113.487 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -155.7 142.12 18.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 111.517 -2.583 . . . . 10.0 109.824 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -63.28 -17.21 62.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 111.175 -2.739 . . . . 10.0 113.877 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.691 ' HB2' HD21 ' A' ' 36' ' ' LEU . 19.6 t80 -81.08 -55.64 4.63 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.145 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -164.75 123.09 1.73 Allowed 'General case' 0 C--N 1.352 0.707 0 CA-C-N 112.595 -2.093 . . . . 10.0 114.792 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.23 171.65 13.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 116.798 -1.961 . . . . 10.0 107.204 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -133.33 -72.47 0.5 Allowed 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 125.311 2.481 . . . . 10.0 114.426 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp 63.6 143.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.489 1 CA-C-N 108.307 -4.042 . . . . 10.0 110.854 -176.027 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 mtt -129.11 -52.6 1.2 Allowed 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 113.106 -1.861 . . . . 10.0 115.294 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.13 61.56 0.74 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 114.711 -1.131 . . . . 10.0 108.603 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -69.37 166.62 18.24 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 112.366 -2.197 . . . . 10.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -156.48 101.7 2.03 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 125.214 1.571 . . . . 10.0 107.951 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -54.28 123.0 4.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 CA-C-N 113.779 -1.555 . . . . 10.0 112.215 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.42 19.56 41.2 Favored Glycine 0 C--O 1.207 -1.547 0 O-C-N 126.029 2.081 . . . . 10.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.39 139.98 50.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 123.223 1.487 . . . . 10.0 113.261 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -106.6 136.99 45.43 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 124.749 2.214 . . . . 10.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -163.19 153.92 16.5 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 124.859 2.266 . . . . 10.0 110.304 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -54.02 160.19 1.58 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 111.318 -2.674 . . . . 10.0 111.826 -179.763 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 8.4 tp10 -148.68 104.82 3.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.279 2.237 . . . . 10.0 112.161 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -103.16 117.43 34.52 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 111.143 -2.753 . . . . 10.0 110.423 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 74' ' ' LEU . 5.9 mp -103.21 46.37 0.92 Allowed 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.833 2.583 . . . . 10.0 112.624 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -92.05 118.7 31.05 Favored 'General case' 0 CA--C 1.495 -1.148 0 O-C-N 126.303 2.252 . . . . 10.0 109.487 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.73 -16.22 7.88 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 113.47 -1.696 . . . . 10.0 109.829 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 77' ' ' ILE . 4.8 mt -105.01 -63.49 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 110.916 -2.642 . . . . 10.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 6.25 2.69 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.539 -2.119 . . . . 10.0 114.534 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.72 82.26 0.11 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 122.95 1.357 . . . . 10.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.02 -174.52 4.97 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.177 -3.192 . . . . 10.0 113.696 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.74 123.66 0.54 Allowed 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 124.332 2.015 . . . . 10.0 112.669 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.7 m -144.48 -175.21 4.55 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 113.82 -1.536 . . . . 10.0 110.024 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.6 mtp -118.68 144.9 45.9 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 127.353 2.908 . . . . 10.0 108.181 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.499 HG22 ' H ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -130.8 166.32 21.07 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 125.141 2.401 . . . . 10.0 113.696 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.499 ' H ' HG22 ' A' ' 84' ' ' THR . 1.3 m -158.26 149.78 21.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 110.754 -2.93 . . . . 10.0 111.636 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.77 143.04 35.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 CA-C-N 111.223 -2.717 . . . . 10.0 108.649 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 m -148.08 84.31 1.52 Allowed 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 114.022 -1.445 . . . . 10.0 113.719 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -56.27 133.32 52.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.933 2.646 . . . . 10.0 108.623 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.3 89.17 2.21 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 124.334 1.054 . . . . 10.0 112.594 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.91 -121.04 5.76 Favored Glycine 0 C--O 1.209 -1.449 0 O-C-N 126.598 2.436 . . . . 10.0 114.118 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -100.24 17.37 21.5 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 112.531 -1.834 . . . . 10.0 114.474 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -133.58 -179.21 5.38 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 125.945 2.783 . . . . 10.0 110.189 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' C ' HD23 ' A' ' 93' ' ' LEU . 9.6 tt -157.04 114.63 3.14 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 124.933 2.301 . . . . 10.0 112.61 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.17 141.31 43.26 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.943 -1.935 . . . . 10.0 111.891 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.2 m -115.5 89.63 3.15 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 123.916 1.817 . . . . 10.0 110.052 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -89.6 137.15 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 113.995 -1.457 . . . . 10.0 109.064 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' NE2' ' CZ2' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -117.95 146.13 44.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.146 -1.388 . . . . 10.0 109.753 -179.643 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.32 74.83 0.9 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.582 1.176 . . . . 10.0 109.099 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.79 -161.96 19.08 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-O 125.534 2.741 . . . . 10.0 109.502 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -105.7 119.95 40.44 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 112.091 -2.054 . . . . 10.0 107.53 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.739 ' CG ' ' N ' ' A' ' 102' ' ' GLU . 1.9 ttmt 62.11 169.67 0.12 Allowed 'General case' 0 C--O 1.206 -1.187 0 O-C-N 128.58 3.675 . . . . 10.0 108.012 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.739 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 2.1 mt-10 80.64 108.31 0.07 Allowed 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.366 4.792 . . . . 10.0 108.005 176.514 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -28.77 -43.95 0.04 OUTLIER Glycine 0 N--CA 1.473 1.117 1 O-C-N 131.465 5.478 . . . . 10.0 106.944 178.236 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER 52.0 170.52 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.966 0 O-C-N 127.472 2.513 . . . . 10.0 115.991 177.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.83 111.4 3.18 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 110.317 -3.129 . . . . 10.0 114.358 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.434 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 7.8 m0 -106.47 119.7 39.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 111.301 -2.45 . . . . 10.0 107.459 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 p -112.07 160.69 17.27 Favored 'General case' 0 CA--C 1.494 -1.202 0 O-C-N 126.662 2.476 . . . . 10.0 114.041 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -144.28 129.68 18.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 111.548 -2.569 . . . . 10.0 112.385 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 9.0 t90 -152.82 87.87 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 110.392 -3.095 . . . . 10.0 113.258 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.62 144.41 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 O-C-N 127.719 3.137 . . . . 10.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -152.86 78.33 1.18 Allowed 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 123.75 1.738 . . . . 10.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.88 -128.75 9.61 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 110.317 -3.129 . . . . 10.0 109.225 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 6.57 39.67 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 112.63 -1.785 . . . . 10.0 112.996 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -117.05 146.74 42.9 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 113.633 -1.621 . . . . 10.0 108.209 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.496 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 1.3 tt -103.03 92.21 4.45 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.123 -1.853 . . . . 10.0 112.784 179.745 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.54 149.28 25.88 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 111.695 -2.502 . . . . 10.0 109.655 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 107' ' ' THR . 7.8 tp -157.62 128.53 6.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 113.195 -1.821 . . . . 10.0 113.89 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -117.96 84.46 2.17 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 126.618 2.449 . . . . 10.0 114.406 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.0 mtp -76.43 119.27 20.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 112.867 -1.969 . . . . 10.0 111.311 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -115.65 138.91 50.61 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 125.699 1.875 . . . . 10.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.38 140.61 11.49 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 112.543 -2.117 . . . . 10.0 108.456 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 47.15 28.56 0.98 Allowed 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 123.51 1.624 . . . . 10.0 113.92 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.91 78.97 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 112.41 -2.177 . . . . 10.0 114.791 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.5 126.39 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.656 HG22 ' HE2' ' A' ' 127' ' ' LYS . 18.5 m -84.58 131.01 34.66 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 126.445 2.341 . . . . 10.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 135.35 34.95 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.612 1.195 . . . . 10.0 108.87 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -121.4 123.8 42.99 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 114.893 -1.049 . . . . 10.0 112.814 179.802 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -116.97 86.3 2.48 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 123.78 1.752 . . . . 10.0 107.76 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.72 124.65 14.42 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 108.968 -3.742 . . . . 10.0 111.227 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.16 160.15 16.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.061 -1.427 . . . . 10.0 110.075 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.781 ' HB2' HD12 ' A' ' 11' ' ' LEU . 25.6 tptp -145.58 107.45 4.3 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 124.303 2.002 . . . . 10.0 111.046 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 4.0 tttm -52.25 130.78 31.62 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.372 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' A' ' 9' ' ' LYS . 1.6 t -89.04 -59.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-N 112.815 -1.993 . . . . 10.0 113.212 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.827 0 CA-C-N 114.008 -1.451 . . . . 10.0 113.058 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.527 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 122.775 1.274 . . . . 10.0 109.71 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.801 ' HB3' HG21 ' A' ' 42' ' ' ILE . 48.7 m-85 -68.09 -33.41 74.48 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.215 -1.811 . . . . 10.0 115.095 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -55.04 87.46 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 124.632 2.158 . . . . 10.0 114.263 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -168.62 -154.58 9.0 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 113.035 -1.893 . . . . 10.0 110.075 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.92 130.09 46.32 Favored 'General case' 0 CA--C 1.498 -1.051 0 O-C-N 125.802 1.53 . . . . 10.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -136.35 124.85 23.52 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 113.243 -1.799 . . . . 10.0 114.942 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HD3' HG22 ' A' ' 133' ' ' VAL . 42.3 pttt -111.46 144.87 39.98 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.443 0.64 . . . . 10.0 110.075 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 ttp -78.4 137.69 38.13 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-O 122.626 1.203 . . . . 10.0 110.727 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -56.09 3.22 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 112.736 -2.029 . . . . 10.0 113.65 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.6 -172.21 4.16 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 112.48 -2.146 . . . . 10.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -155.75 133.62 11.27 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.815 -2.448 . . . . 10.0 108.766 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.25 -17.28 14.92 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.984 -2.825 . . . . 10.0 112.555 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -144.4 32.34 1.2 Allowed 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' HB2' ' CB ' ' A' ' 13' ' ' ASN . 19.1 t80 -74.97 -23.53 58.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 113.726 -1.579 . . . . 10.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.66 -44.09 24.59 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.13 -1.396 . . . . 10.0 113.497 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -70.78 -29.67 65.93 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 112.655 -2.066 . . . . 10.0 112.71 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -77.71 -23.47 49.46 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 111.873 -2.421 . . . . 10.0 111.476 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 25' ' ' VAL . 11.6 mt -77.66 -28.23 51.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 125.706 2.67 . . . . 10.0 109.027 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 -26.03 61.36 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.633 -2.985 . . . . 10.0 112.821 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 -30.29 66.46 Favored 'General case' 0 CA--C 1.499 -0.983 0 O-C-N 125.272 1.608 . . . . 10.0 112.711 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -101.26 5.96 42.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.913 -1.949 . . . . 10.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 50.26 63.26 2.27 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 111.651 -2.522 . . . . 10.0 114.627 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.51 HG11 HD22 ' A' ' 20' ' ' LEU . 2.1 t -83.86 141.14 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.552 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 25' ' ' VAL . 5.7 m-20 -49.38 160.73 0.23 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 112.9 -1.955 . . . . 10.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.34 -24.44 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 124.323 2.011 . . . . 10.0 112.803 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.04 -46.31 24.19 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.1 1.905 . . . . 10.0 111.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -30.18 71.36 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 113.096 -1.866 . . . . 10.0 114.88 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 12.9 ttm105 -72.16 -32.31 66.74 Favored 'General case' 0 CA--C 1.497 -1.078 0 O-C-N 127.767 3.167 . . . . 10.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.22 62.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.788 -2.46 . . . . 10.0 114.538 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -74.26 -43.74 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 O-C-N 127.977 3.298 . . . . 10.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.72 -20.55 65.02 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 126.392 2.307 . . . . 10.0 114.564 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -70.17 -37.98 75.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.436 -1.256 . . . . 10.0 113.682 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.55 -15.82 47.79 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 127.159 2.787 . . . . 10.0 108.747 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 57' ' ' PHE . 1.7 mp -91.18 150.43 21.37 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 125.626 2.631 . . . . 10.0 109.776 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.19 76.15 1.01 Allowed Pre-proline 0 C--O 1.216 -0.66 0 CA-C-N 110.889 -2.869 . . . . 10.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -44.74 143.64 4.05 Favored 'Trans proline' 0 CA--C 1.497 -1.359 0 O-C-N 126.85 3.026 . . . . 10.0 113.285 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.27 117.02 32.97 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 127.022 2.701 . . . . 10.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -89.87 132.31 35.35 Favored 'General case' 0 C--O 1.209 -1.067 0 O-C-N 125.847 1.967 . . . . 10.0 113.359 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 99.8 5.89 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 110.672 -2.967 . . . . 10.0 108.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.801 HG21 ' HB3' ' A' ' 4' ' ' PHE . 3.2 mp -84.6 144.79 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-N 113.269 -1.787 . . . . 10.0 110.581 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.06 90.88 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 112.02 -2.355 . . . . 10.0 110.038 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -76.49 137.79 39.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.347 1.459 . . . . 10.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -160.6 72.41 0.46 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 124.092 1.901 . . . . 10.0 111.501 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.59 7.51 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 114.18 -1.373 . . . . 10.0 112.58 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.89 -5.64 59.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 127.285 2.403 . . . . 10.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 112.41 -2.177 . . . . 10.0 110.031 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.72 123.58 23.88 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 127.36 2.913 . . . . 10.0 111.565 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 50' ' ' ILE . 2.2 mt -108.48 132.49 56.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 127.543 3.027 . . . . 10.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mt -111.36 104.37 16.96 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 111.906 -2.406 . . . . 10.0 109.556 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -72.24 159.86 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 124.238 1.97 . . . . 10.0 112.438 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.8 m -156.72 104.56 2.16 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 113.208 -1.814 . . . . 10.0 107.414 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.24 97.84 5.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 127.589 3.056 . . . . 10.0 111.698 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 5.28 24.84 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 110.81 -2.905 . . . . 10.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.79 18.63 10.86 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.383 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -118.14 -57.3 2.1 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.775 -1.557 . . . . 10.0 108.657 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -158.58 124.24 4.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 124.493 2.092 . . . . 10.0 109.069 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -79.23 125.44 29.47 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 112.995 -1.911 . . . . 10.0 112.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -135.01 87.95 2.38 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.477 -2.147 . . . . 10.0 111.443 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.9 mp -93.84 145.45 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 CA-C-N 112.727 -2.033 . . . . 10.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.3 mtt -130.17 158.68 39.04 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 127.144 2.777 . . . . 10.0 109.556 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.14 94.75 4.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.967 1.365 . . . . 10.0 109.046 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CD2' HG21 ' A' ' 86' ' ' VAL . 1.9 m-85 -86.62 102.0 13.77 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 111.712 -2.494 . . . . 10.0 111.724 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -89.16 96.05 10.56 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 126.285 2.241 . . . . 10.0 109.071 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -53.92 116.13 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 O-C-N 125.394 1.684 . . . . 10.0 114.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.55 61.84 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 127.225 2.828 . . . . 10.0 112.983 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.97 155.04 21.33 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.549 1.381 . . . . 10.0 114.575 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -90.04 149.79 22.37 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 124.47 1.106 . . . . 10.0 113.973 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 37.7 p90 -161.77 143.52 11.33 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 126.402 2.314 . . . . 10.0 111.455 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.48 162.21 26.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.548 3.03 . . . . 10.0 109.121 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -154.14 95.1 1.8 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 123.565 1.65 . . . . 10.0 114.352 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -79.8 109.75 14.51 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 111.296 -2.684 . . . . 10.0 108.804 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.543 HD23 HD13 ' A' ' 77' ' ' ILE . 7.8 mt -86.92 24.19 1.56 Allowed 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 125.55 1.781 . . . . 10.0 115.303 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -70.76 114.56 8.96 Favored 'General case' 0 CA--C 1.5 -0.946 0 O-C-N 121.062 -1.024 . . . . 10.0 108.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.35 -20.56 4.42 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 124.141 1.967 . . . . 10.0 109.381 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.543 HD13 HD23 ' A' ' 74' ' ' LEU . 4.0 mp -100.45 -69.66 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 109.608 -3.296 . . . . 10.0 107.484 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.14 22.18 0.96 Allowed 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 127.383 2.927 . . . . 10.0 113.547 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 52.2 78.75 0.12 Allowed 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 113.153 -1.84 . . . . 10.0 113.672 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.09 166.57 24.31 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 112.583 -2.099 . . . . 10.0 109.46 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -148.24 133.81 18.75 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 126.452 2.345 . . . . 10.0 108.2 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 19.4 p -163.14 -176.03 4.63 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 124.22 1.962 . . . . 10.0 113.234 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.9 mtt -115.03 127.31 55.57 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 111.472 -2.604 . . . . 10.0 108.46 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.4 m -126.76 145.72 50.5 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.926 -1.488 . . . . 10.0 113.975 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.89 159.12 42.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.576 -1.193 . . . . 10.0 108.679 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.595 HG21 ' CD2' ' A' ' 64' ' ' PHE . 49.1 t -137.32 135.56 47.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 CA-C-O 124.786 2.231 . . . . 10.0 110.011 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -125.9 167.59 15.04 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 112.044 -2.344 . . . . 10.0 115.007 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -124.47 75.08 1.37 Allowed 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.542 3.026 . . . . 10.0 111.933 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -49.58 5.49 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.18 2.8 . . . . 10.0 110.452 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.08 -117.99 0.42 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-O 123.891 1.828 . . . . 10.0 110.97 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -74.75 -13.66 60.62 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 113.569 -1.315 . . . . 10.0 110.347 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -110.2 170.6 7.97 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 126.469 2.356 . . . . 10.0 111.575 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 tp -114.92 143.2 45.53 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.834 3.209 . . . . 10.0 109.017 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -140.94 124.91 17.17 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.75 -1.18 . . . . 10.0 112.058 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.32 133.16 56.29 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 126.405 3.003 . . . . 10.0 107.987 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.36 137.08 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 111.56 -2.563 . . . . 10.0 111.032 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -113.1 126.82 55.88 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 113.338 -1.756 . . . . 10.0 108.889 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -94.43 49.46 1.28 Allowed 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 125.79 1.931 . . . . 10.0 110.766 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.35 -146.14 18.9 Favored Glycine 0 C--O 1.21 -1.399 0 CA-C-O 124.497 2.165 . . . . 10.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -173.29 2.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 112.047 -2.076 . . . . 10.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm 69.44 -171.27 0.18 Allowed 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 126.318 2.261 . . . . 10.0 108.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -138.75 89.38 2.36 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.323 -2.217 . . . . 10.0 113.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 163.66 -36.19 0.31 Allowed Glycine 0 C--N 1.353 1.518 0 CA-C-N 109.254 -3.612 . . . . 10.0 112.159 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.464 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.42 93.96 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 127.263 3.411 . . . . 10.0 112.549 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.85 95.55 0.1 OUTLIER Glycine 0 C--N 1.348 1.197 0 CA-C-N 111.159 -2.746 . . . . 10.0 108.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.497 ' CZ2' ' HG2' ' A' ' 119' ' ' MET . 2.3 m0 -65.66 162.51 18.29 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 125.649 2.643 . . . . 10.0 115.409 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -149.54 145.66 26.96 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 110.272 -3.149 . . . . 10.0 108.084 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.57 162.97 33.24 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.272 2.233 . . . . 10.0 113.694 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -169.23 108.19 0.43 Allowed 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.792 -2.458 . . . . 10.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.404 ' C ' ' HG2' ' A' ' 111' ' ' GLU . 8.8 mt -81.65 143.03 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.645 3.091 . . . . 10.0 109.202 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.404 ' HG2' ' C ' ' A' ' 110' ' ' ILE . 3.1 mt-10 -135.73 44.38 2.51 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 111.71 -2.495 . . . . 10.0 114.465 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -119.75 4.96 Favored Glycine 0 C--O 1.213 -1.218 0 CA-C-N 114.465 -1.243 . . . . 10.0 114.477 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.1 36.42 2.24 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 112.905 -1.648 . . . . 10.0 113.555 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.49 107.24 2.39 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 127.177 2.798 . . . . 10.0 109.389 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.0 93.61 4.49 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 123.624 1.678 . . . . 10.0 114.1 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -92.95 153.68 18.62 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 110.327 -3.124 . . . . 10.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.853 HD11 ' HE3' ' A' ' 119' ' ' MET . 1.8 pt? -166.09 170.63 13.26 Favored 'General case' 0 CA--C 1.495 -1.147 0 CA-C-O 124.183 1.944 . . . . 10.0 111.047 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.94 95.67 4.01 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 111.887 -2.415 . . . . 10.0 112.905 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.853 ' HE3' HD11 ' A' ' 117' ' ' LEU . 24.3 mtt -77.28 141.12 40.12 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.3 -2.227 . . . . 10.0 109.747 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -132.93 139.25 47.24 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.887 3.242 . . . . 10.0 110.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -161.97 116.23 1.89 Allowed 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.408 -2.178 . . . . 10.0 114.144 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 60.2 22.27 11.62 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.38 0.86 59.4 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 112.536 -2.12 . . . . 10.0 113.657 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.95 139.44 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 O-C-N 128.512 3.125 . . . . 10.0 108.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -106.82 125.67 51.3 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 127.672 3.107 . . . . 10.0 111.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 111.13 18.06 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 124.502 2.096 . . . . 10.0 113.686 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.22 115.12 29.13 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.888 -1.506 . . . . 10.0 108.508 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.498 ' HB2' ' HE1' ' A' ' 119' ' ' MET . 0.0 OUTLIER -123.43 116.13 22.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.108 -2.769 . . . . 10.0 107.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.71 118.47 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.167 0 N-CA-C 115.78 1.77 . . . . 10.0 115.78 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -104.31 139.76 38.84 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.929 2.018 . . . . 10.0 108.954 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -112.55 140.93 46.89 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.044 -1.435 . . . . 10.0 113.318 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 140.75 58.34 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.005 -2.361 . . . . 10.0 108.176 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.463 HG22 ' HD3' ' A' ' 9' ' ' LYS . 62.1 t -106.28 -25.33 3.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 128.64 3.712 . . . . 10.0 113.698 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.1 p80 . . . . . 0 C--O 1.26 1.619 0 O-C-N 125.444 1.715 . . . . 10.0 111.691 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.218 -0.554 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -82.41 -6.87 59.56 Favored 'General case' 0 CA--C 1.511 -0.558 0 O-C-N 127.222 2.826 . . . . 10.0 113.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -62.62 134.35 56.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.8 -2.909 . . . . 10.0 109.106 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.67 -163.96 23.18 Favored Glycine 0 C--O 1.212 -1.222 0 CA-C-N 111.611 -2.541 . . . . 10.0 112.395 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 41' ' ' GLU . 3.7 m-85 -112.3 141.72 45.66 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 127.058 2.269 . . . . 10.0 108.408 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 1.3 m95 -146.31 118.52 8.34 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.48 -1.236 . . . . 10.0 113.431 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -116.51 151.14 36.73 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-N 112.487 -2.142 . . . . 10.0 108.82 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.6 ptm -87.69 148.46 24.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 110.516 -3.038 . . . . 10.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.65 -67.14 0.96 Allowed 'General case' 0 CA--C 1.497 -1.062 0 O-C-N 128.84 3.837 . . . . 10.0 112.622 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 t -136.11 162.75 32.06 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.29 179.48 4.1 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 115.553 -0.749 . . . . 10.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -139.43 -48.56 0.48 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 112.849 -1.978 . . . . 10.0 114.057 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -139.92 38.81 1.98 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 125.809 2.719 . . . . 10.0 108.282 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CD2' ' C ' ' A' ' 16' ' ' PHE . 51.5 t80 -65.38 -34.42 78.27 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 113.064 -1.88 . . . . 10.0 115.43 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -73.21 -48.4 35.42 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 111.361 -2.654 . . . . 10.0 113.421 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.19 -27.41 68.67 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 126.17 2.169 . . . . 10.0 113.848 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.499 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 57.0 t80 -66.03 -33.5 75.94 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.729 -3.396 . . . . 10.0 113.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' HB3' HG11 ' A' ' 25' ' ' VAL . 8.0 mt -78.45 -31.3 47.91 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 114.517 -1.22 . . . . 10.0 113.931 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -24.72 65.88 Favored 'General case' 0 C--O 1.21 -0.983 0 O-C-N 126.861 2.6 . . . . 10.0 113.257 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 -25.79 58.24 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 127.025 3.298 . . . . 10.0 113.127 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.1 7.54 46.41 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 110.446 -3.07 . . . . 10.0 108.494 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 51.95 51.42 16.52 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 113.322 -1.763 . . . . 10.0 114.849 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 20' ' ' LEU . 3.8 p -69.99 149.25 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 113.25 -1.795 . . . . 10.0 107.793 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.1 161.09 19.68 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 125.413 2.53 . . . . 10.0 110.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.45 -30.1 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 CA-C-N 111.863 -2.426 . . . . 10.0 113.361 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -71.57 -42.13 68.2 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-O 122.699 1.238 . . . . 10.0 112.203 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -22.01 65.01 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 113.549 -1.66 . . . . 10.0 112.174 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.36 -27.44 46.92 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.504 -1.226 . . . . 10.0 109.604 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -39.55 53.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 112.205 -2.271 . . . . 10.0 110.766 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -71.33 -44.4 72.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 113.077 -1.874 . . . . 10.0 112.977 -179.639 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.12 48.94 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 127.411 2.944 . . . . 10.0 114.797 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.98 -36.75 59.11 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 112.54 -2.118 . . . . 10.0 111.34 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 35' ' ' LEU . 1.1 mt -91.87 -4.05 55.27 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 126.855 2.597 . . . . 10.0 112.557 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 57' ' ' PHE . 1.8 tp -95.09 133.22 39.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 109.603 -3.453 . . . . 10.0 112.707 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -141.54 74.89 23.01 Favored Pre-proline 0 C--O 1.215 -0.749 0 CA-C-N 110.102 -3.226 . . . . 10.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -68.73 168.74 19.26 Favored 'Trans proline' 0 CA--C 1.499 -1.237 0 CA-C-O 124.296 1.707 . . . . 10.0 111.586 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.11 142.51 47.53 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.144 -1.844 . . . . 10.0 108.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 129.39 48.18 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 124.338 2.018 . . . . 10.0 113.781 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 1.4 tt0 -115.42 108.21 16.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 110.687 -2.96 . . . . 10.0 109.824 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 42' ' ' ILE . 3.4 mm -91.1 148.04 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.296 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.44 72.19 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 O-C-N 128.219 3.449 . . . . 10.0 110.972 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.96 129.26 35.91 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 125.355 1.659 . . . . 10.0 112.84 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 -50.82 2.93 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 126.805 2.566 . . . . 10.0 110.786 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.76 91.01 0.08 OUTLIER Glycine 0 C--O 1.209 -1.443 0 O-C-N 127.086 2.741 . . . . 10.0 112.764 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.28 31.29 2.42 Favored 'General case' 0 C--O 1.209 -1.065 0 C-N-CA 125.056 1.343 . . . . 10.0 109.666 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 121.75 8.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.661 3.726 . . . . 10.0 108.142 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.8 mtm -131.91 88.86 2.61 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 126.523 2.39 . . . . 10.0 112.451 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.62 104.92 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-O 124.145 1.926 . . . . 10.0 113.586 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -89.92 109.36 20.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.507 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -100.84 123.42 45.0 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 111.165 -2.743 . . . . 10.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.1 m -107.31 112.68 25.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 123.65 1.691 . . . . 10.0 108.531 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.84 143.2 38.35 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.238 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -28.55 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 112.847 -1.979 . . . . 10.0 114.849 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m 94.18 -15.49 0.11 Allowed 'General case' 0 C--O 1.209 -1.031 0 O-C-N 127.374 2.921 . . . . 10.0 111.583 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.597 ' HB3' HD21 ' A' ' 36' ' ' LEU . 10.3 t80 -84.92 -30.21 24.53 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 123.328 1.537 . . . . 10.0 108.965 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -177.75 132.25 0.16 Allowed 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 109.583 -3.462 . . . . 10.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.88 106.99 18.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.919 -2.4 . . . . 10.0 113.132 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -114.0 109.18 18.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 113.606 -1.633 . . . . 10.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.9 144.2 35.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 CA-C-N 114.318 -1.31 . . . . 10.0 113.082 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.43 147.05 12.17 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 128.112 3.382 . . . . 10.0 111.267 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.43 89.09 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 127.63 3.081 . . . . 10.0 111.312 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.21 124.13 22.62 Favored 'General case' 0 C--O 1.209 -1.065 0 O-C-N 128.325 3.515 . . . . 10.0 112.384 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.3 134.51 46.57 Favored 'General case' 0 CA--C 1.495 -1.169 0 O-C-N 126.168 2.168 . . . . 10.0 110.287 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.25 125.87 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 O-C-N 126.887 2.617 . . . . 10.0 113.22 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.58 -18.6 56.14 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 114.462 -1.244 . . . . 10.0 113.225 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -110.57 150.04 29.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 114.199 1.185 . . . . 10.0 114.199 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HA ' HG23 ' A' ' 85' ' ' THR . 1.7 tm-20 -88.1 144.0 26.75 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 124.469 1.106 . . . . 10.0 112.445 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -168.33 155.22 7.62 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 127.781 3.175 . . . . 10.0 114.196 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.73 168.34 0.2 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 110.745 -2.934 . . . . 10.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.79 67.16 1.4 Allowed 'General case' 0 C--O 1.219 -0.516 0 O-C-N 128.03 3.331 . . . . 10.0 110.659 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.78 99.05 0.21 Allowed 'General case' 0 C--N 1.35 0.604 0 CA-C-N 110.44 -3.073 . . . . 10.0 112.72 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 tp -120.25 78.66 1.37 Allowed 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 125.96 2.79 . . . . 10.0 111.574 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.16 32.36 6.16 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 111.422 -2.626 . . . . 10.0 111.061 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' ILE . . . -144.49 23.55 2.02 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 109.773 -3.376 . . . . 10.0 109.361 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 76' ' ' GLY . 2.3 mp -154.22 -72.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 113.446 -1.377 . . . . 10.0 113.006 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.546 ' N ' HG22 ' A' ' 77' ' ' ILE . 1.3 p30 -117.3 3.35 12.58 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 113.057 -1.883 . . . . 10.0 114.726 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 50.37 67.49 0.91 Allowed 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 126.993 3.282 . . . . 10.0 112.948 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -134.93 149.72 50.29 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 109.807 -3.361 . . . . 10.0 111.301 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 107.97 8.18 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 127.141 2.775 . . . . 10.0 109.54 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.3 m -141.28 177.45 8.09 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.643 -1.286 . . . . 10.0 114.391 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.1 mtp -103.95 141.97 35.23 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 125.369 1.668 . . . . 10.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -142.65 145.95 33.97 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 125.546 2.593 . . . . 10.0 112.694 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -131.28 160.05 36.07 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 110.565 -3.016 . . . . 10.0 110.961 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.55 114.09 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 112.26 -2.245 . . . . 10.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.25 154.07 17.72 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.799 3.187 . . . . 10.0 108.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.51 116.56 19.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.203 -1.362 . . . . 10.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -85.49 -59.58 2.28 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 127.135 2.772 . . . . 10.0 114.238 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 155.94 118.49 0.6 Allowed Glycine 0 C--N 1.35 1.345 0 CA-C-N 114.364 -1.289 . . . . 10.0 111.19 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.7 23.62 9.68 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 125.462 1.331 . . . . 10.0 111.297 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -156.45 169.11 25.37 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 127.546 3.029 . . . . 10.0 108.579 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 tt -151.46 136.41 17.33 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 126.991 2.682 . . . . 10.0 114.052 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.751 ' CG ' HG22 ' A' ' 107' ' ' THR . 6.7 mp0 -129.76 157.49 42.04 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 124.454 2.073 . . . . 10.0 111.642 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.4 m -121.25 108.22 13.48 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 110.829 -2.896 . . . . 10.0 111.79 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.96 123.91 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 O-C-N 125.748 1.905 . . . . 10.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.0 148.25 43.19 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 124.844 1.34 . . . . 10.0 108.858 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -88.65 -89.55 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 127.444 2.965 . . . . 10.0 113.242 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.14 -153.27 5.99 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-O 123.801 1.779 . . . . 10.0 109.785 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -155.68 66.4 0.61 Allowed 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.219 -1.99 . . . . 10.0 113.915 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.521 ' HB3' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -149.86 163.62 37.56 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 124.813 2.244 . . . . 10.0 109.044 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.07 101.69 0.9 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 111.161 -2.745 . . . . 10.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.63 -110.04 2.49 Favored Glycine 0 C--O 1.226 -0.37 0 CA-C-N 111.034 -2.803 . . . . 10.0 113.127 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.521 ' CD ' ' HB3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 54.63 91.49 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.77 0 O-C-N 129.092 3.466 . . . . 10.0 111.997 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.01 123.42 0.67 Allowed Glycine 0 C--O 1.21 -1.378 0 CA-C-N 109.753 -3.385 . . . . 10.0 109.936 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.41 ' CD1' ' N ' ' A' ' 106' ' ' TRP . 0.1 OUTLIER -97.17 169.66 9.65 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 125.259 2.457 . . . . 10.0 109.931 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.751 HG22 ' CG ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -151.52 150.23 30.12 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 110.583 -3.008 . . . . 10.0 111.819 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -134.41 150.42 50.87 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 125.853 1.971 . . . . 10.0 109.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.414 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 7.2 t90 -169.13 79.24 0.12 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 111.526 -2.579 . . . . 10.0 109.145 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.7 mt -52.64 130.93 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-N 110.203 -3.181 . . . . 10.0 111.759 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -128.61 78.91 1.88 Allowed 'General case' 0 CA--C 1.513 -0.472 0 O-C-N 126.663 2.477 . . . . 10.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.18 -130.17 10.14 Favored Glycine 0 C--O 1.216 -1.025 0 CA-C-N 114.327 -1.306 . . . . 10.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 29.21 1.95 Allowed 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -143.88 151.44 39.85 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 114.611 -1.177 . . . . 10.0 111.278 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -102.33 101.65 11.93 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 123.387 1.565 . . . . 10.0 112.69 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -91.56 138.83 31.26 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 114.28 -1.327 . . . . 10.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 pp -157.42 143.4 17.61 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 126.117 2.135 . . . . 10.0 111.52 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.06 92.86 3.28 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 123.997 1.856 . . . . 10.0 112.268 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.7 mtm -80.41 169.18 18.06 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 112.617 -2.083 . . . . 10.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -147.76 142.99 27.22 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 113.489 -1.687 . . . . 10.0 113.186 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.52 111.11 0.9 Allowed 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 114.1 1.148 . . . . 10.0 114.1 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 70.19 21.49 5.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.641 1.21 . . . . 10.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.01 0.37 71.49 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.086 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 50.3 t -91.93 123.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.615 -1.292 . . . . 10.0 114.02 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.81 131.28 37.28 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 128.358 3.536 . . . . 10.0 112.376 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.499 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 2.5 t -131.84 114.23 14.45 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 111.874 -2.421 . . . . 10.0 111.121 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -116.56 132.18 56.75 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 112.005 -2.361 . . . . 10.0 112.558 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -118.89 124.02 46.08 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 111.245 -2.707 . . . . 10.0 112.744 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.7 t -93.51 110.14 22.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 112.976 -1.92 . . . . 10.0 108.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.461 ' HB2' ' HB3' ' A' ' 115' ' ' LEU . 3.1 m-85 -97.55 169.89 9.4 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 112.555 -2.111 . . . . 10.0 110.31 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 134.8 20.64 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 110.014 -3.266 . . . . 10.0 108.869 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.431 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 9.5 tttt -97.77 133.61 42.05 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 110.879 -2.873 . . . . 10.0 108.658 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.0 t -100.22 -46.13 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 112.166 -2.288 . . . . 10.0 109.815 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.26 1.652 0 CA-C-N 110.673 -2.967 . . . . 10.0 111.067 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 42' ' ' ILE . 6.1 m-85 -97.59 -40.44 8.62 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 126.145 2.153 . . . . 10.0 110.224 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.92 117.7 5.78 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 110.953 -2.839 . . . . 10.0 111.932 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.07 -145.16 10.43 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 123.807 1.782 . . . . 10.0 109.884 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HB2' ' HB ' ' A' ' 133' ' ' VAL . 5.8 m-85 -137.81 124.11 20.57 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 121.672 -0.899 . . . . 10.0 110.205 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 1.6 m95 -129.38 120.5 25.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 124.789 2.233 . . . . 10.0 112.774 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.7 -179.73 3.74 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 111.895 -2.411 . . . . 10.0 108.4 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 175.97 5.31 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.681 1.705 . . . . 10.0 113.853 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -136.17 -56.53 0.76 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 110.177 -3.192 . . . . 10.0 109.715 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.6 179.28 8.52 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 113.494 -1.684 . . . . 10.0 114.236 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.93 169.66 10.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 111.182 -2.736 . . . . 10.0 108.515 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.64 -58.03 0.48 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 125.083 1.489 . . . . 10.0 113.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -136.22 40.98 2.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 127.839 3.212 . . . . 10.0 108.73 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -70.18 -31.49 68.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 111.268 -2.696 . . . . 10.0 112.612 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.85 -46.2 46.44 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.4 -1.273 . . . . 10.0 112.366 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.44 -27.58 65.38 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.163 -0.926 . . . . 10.0 112.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 70.9 t80 -73.25 -28.08 61.94 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 126.602 2.438 . . . . 10.0 110.621 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 mt -73.67 -44.47 56.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.475 -1.239 . . . . 10.0 110.786 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -65.41 -20.93 66.59 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.354 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.06 62.69 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 123.771 1.748 . . . . 10.0 112.165 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.58 -15.16 27.26 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 110.554 -3.021 . . . . 10.0 110.07 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 76.57 61.78 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 126.154 2.159 . . . . 10.0 114.635 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.7 155.52 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 114.517 -1.22 . . . . 10.0 110.357 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.35 167.89 0.18 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 126.746 2.529 . . . . 10.0 112.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -77.82 -27.36 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 110.857 -2.883 . . . . 10.0 113.314 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.05 -47.53 24.36 Favored 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 129.111 4.007 . . . . 10.0 113.414 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -28.5 69.83 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 125.147 2.403 . . . . 10.0 113.976 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -27.19 52.72 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 110.549 -3.023 . . . . 10.0 111.344 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -79.89 -31.41 40.27 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 109.733 -3.394 . . . . 10.0 114.39 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.72 HG22 ' CZ ' ' A' ' 57' ' ' PHE . 43.9 mt -78.85 -43.26 24.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 112.309 -2.223 . . . . 10.0 113.088 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -27.82 69.56 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.587 -1.642 . . . . 10.0 112.843 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.79 -32.38 73.63 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 125.188 1.555 . . . . 10.0 113.275 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 35' ' ' LEU . 43.3 mt -78.59 -49.62 12.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.945 1.831 . . . . 10.0 112.609 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 57' ' ' PHE . 2.6 mm? -62.5 150.23 40.77 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 109.484 -3.507 . . . . 10.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -143.97 82.37 11.07 Favored Pre-proline 0 C--O 1.211 -0.931 0 O-C-N 126.829 2.581 . . . . 10.0 108.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.97 -179.11 0.21 Allowed 'Trans proline' 0 CA--C 1.494 -1.499 1 O-C-N 129.084 4.202 . . . . 10.0 111.642 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -145.68 155.99 43.35 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 112.451 -2.159 . . . . 10.0 109.345 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 42' ' ' ILE . 21.4 mttp -121.07 132.93 55.18 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -116.49 122.02 43.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 127.035 2.71 . . . . 10.0 107.664 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' A' ' 4' ' ' PHE . 4.7 mp -121.6 133.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 O-C-N 126.446 2.341 . . . . 10.0 113.759 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.71 81.03 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 127.351 2.907 . . . . 10.0 113.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -71.71 131.35 43.01 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-N 111.74 -2.482 . . . . 10.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.53 21.26 10.21 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 124.571 2.129 . . . . 10.0 114.146 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 108.25 0.59 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 112.342 -2.208 . . . . 10.0 110.75 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 59.7 21.92 10.68 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 126.203 1.767 . . . . 10.0 110.696 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 48' ' ' HIS . 14.1 t-160 -158.62 112.8 2.47 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.293 -2.23 . . . . 10.0 109.348 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttm -128.88 138.03 51.79 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.125 -2.761 . . . . 10.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.3 mt -118.42 109.45 27.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 126.331 2.269 . . . . 10.0 108.452 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.1 mt -99.84 109.06 23.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.333 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -101.26 110.2 22.18 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 109.88 -3.327 . . . . 10.0 112.949 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 102.94 14.81 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 112.413 -2.176 . . . . 10.0 107.952 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.28 119.67 25.91 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 112.963 -1.926 . . . . 10.0 114.459 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.09 166.16 26.16 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.055 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.7 p -81.75 -17.02 49.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 123.214 1.483 . . . . 10.0 112.095 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.72 ' CZ ' HG22 ' A' ' 32' ' ' ILE . 2.3 m-85 -85.47 -47.41 9.96 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.965 -1.471 . . . . 10.0 113.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -170.17 144.98 2.71 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 127.305 2.878 . . . . 10.0 114.295 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -84.63 124.52 31.55 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.676 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -120.07 97.3 5.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 125.54 2.59 . . . . 10.0 111.822 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.6 126.12 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.57 ' HE3' ' HG2' ' A' ' 72' ' ' GLU . 32.9 mtp -130.06 124.75 33.56 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 124.831 1.332 . . . . 10.0 110.064 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -90.53 57.22 3.56 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 114.583 -1.19 . . . . 10.0 112.149 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -47.88 141.17 5.96 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.796 1.284 . . . . 10.0 114.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.21 113.02 13.93 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 111.746 -2.479 . . . . 10.0 107.678 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -84.12 125.09 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.074 0 CA-C-O 124.023 1.868 . . . . 10.0 114.203 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.99 -26.45 19.16 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 110.941 -2.845 . . . . 10.0 111.334 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 169.53 8.53 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 127.514 2.538 . . . . 10.0 112.604 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -113.92 139.43 49.21 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 112.366 -2.197 . . . . 10.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 8.1 p90 -160.88 145.27 13.8 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.638 -1.619 . . . . 10.0 110.726 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.61 161.92 5.58 Favored 'General case' 0 N--CA 1.462 0.145 0 O-C-N 126.673 2.483 . . . . 10.0 110.165 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HG2' ' HE3' ' A' ' 62' ' ' MET . 4.0 tt0 -139.41 133.46 31.06 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 110.831 -2.895 . . . . 10.0 109.153 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.7 119.13 38.3 Favored 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 127.301 2.875 . . . . 10.0 109.596 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.35 24.78 8.37 Favored 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 125.905 2.003 . . . . 10.0 110.683 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.1 p -75.9 135.26 40.13 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 126.899 3.238 . . . . 10.0 110.411 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.26 -12.49 55.15 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.64 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.4 mp -112.77 -85.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 111.374 -2.413 . . . . 10.0 108.622 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.95 11.09 3.94 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.3 t0 40.94 89.09 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 125.796 1.935 . . . . 10.0 114.224 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.68 46.44 0.71 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 123.336 1.541 . . . . 10.0 110.146 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -39.56 120.32 1.07 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 109.556 -3.475 . . . . 10.0 113.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.4 m -148.46 -175.4 4.9 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 118.382 -1.327 . . . . 10.0 114.441 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.21 143.64 26.45 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 125.209 1.568 . . . . 10.0 110.072 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 133.92 24.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 123.923 1.82 . . . . 10.0 113.948 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.5 148.03 45.65 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-N 111.669 -2.514 . . . . 10.0 109.717 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.86 143.33 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 119.457 -0.897 . . . . 10.0 109.568 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -140.99 -166.92 2.26 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 126.475 2.359 . . . . 10.0 109.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -137.8 160.24 39.8 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 125.823 1.952 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.66 57.43 1.11 Allowed 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 123.686 1.708 . . . . 10.0 112.13 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.96 -96.34 2.0 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-N 113.4 -1.727 . . . . 10.0 114.747 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -93.57 -18.33 22.35 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 127.364 2.45 . . . . 10.0 114.766 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 156.33 37.3 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.24 88.49 2.78 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 128.07 3.356 . . . . 10.0 108.639 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -93.17 151.96 19.52 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 125.913 2.008 . . . . 10.0 107.948 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 16.7 m -117.32 157.57 25.89 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 126.656 2.472 . . . . 10.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.2 133.83 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 111.969 -2.378 . . . . 10.0 111.804 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -97.52 168.79 10.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.043 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -143.24 58.35 1.4 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 117.863 -1.535 . . . . 10.0 108.905 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.63 72.61 0.33 Allowed Glycine 0 C--N 1.339 0.733 0 CA-C-N 112.418 -2.174 . . . . 10.0 114.6 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 63.04 -159.56 0.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 O-C-N 127.677 2.634 . . . . 10.0 114.39 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.409 ' HB3' ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER 68.37 -175.44 0.2 Allowed 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.701 1.239 . . . . 10.0 109.021 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -164.01 101.15 0.87 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 124.918 2.294 . . . . 10.0 108.661 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.61 -36.38 1.17 Allowed Glycine 0 N--CA 1.465 0.576 0 CA-C-N 110.088 -3.233 . . . . 10.0 113.19 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 101' ' ' LYS . 21.8 ptt-85 -45.18 148.64 0.58 Allowed 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 127.737 2.669 . . . . 10.0 113.026 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.13 87.81 0.48 Allowed Glycine 0 C--N 1.351 1.383 0 CA-C-N 110.05 -3.25 . . . . 10.0 109.49 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.95 134.46 43.14 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 126.169 1.746 . . . . 10.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 147.63 43.9 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 127.38 2.925 . . . . 10.0 109.994 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.13 162.69 18.2 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 110.405 -3.088 . . . . 10.0 109.277 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -140.06 -62.02 0.51 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 112.276 -2.238 . . . . 10.0 114.085 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CG1' ' HG ' ' A' ' 115' ' ' LEU . 3.8 mt 70.26 142.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 128.153 3.408 . . . . 10.0 112.419 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -126.27 -175.17 3.3 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 110.373 -3.103 . . . . 10.0 110.54 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.89 -46.42 60.58 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 113.495 -1.684 . . . . 10.0 111.229 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.17 69.66 0.78 Allowed 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.538 -0.831 . . . . 10.0 111.742 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 164.6 130.49 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.934 0 O-C-N 127.421 2.951 . . . . 10.0 109.386 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.528 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -90.93 113.8 26.11 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 111.932 -2.395 . . . . 10.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -107.89 102.45 11.64 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 113.006 -1.907 . . . . 10.0 110.763 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -124.02 149.49 45.99 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.121 2.763 . . . . 10.0 108.891 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -128.72 97.98 4.85 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.384 -1.735 . . . . 10.0 113.078 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 71.3 mtp -86.99 127.79 35.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 127.354 2.909 . . . . 10.0 113.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -125.43 155.62 40.16 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.339 2.274 . . . . 10.0 111.47 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -170.06 128.65 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 128.021 3.325 . . . . 10.0 112.482 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 64.07 17.14 10.45 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.4 1.259 . . . . 10.0 114.4 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.28 57.46 Favored Glycine 0 C--O 1.216 -0.993 0 O-C-N 125.278 1.611 . . . . 10.0 113.345 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.73 137.87 24.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 111.755 -2.223 . . . . 10.0 108.592 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 m -111.55 133.46 53.81 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 112.598 -2.092 . . . . 10.0 113.365 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -137.92 132.03 31.79 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 112.178 -2.283 . . . . 10.0 110.516 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.17 18.5 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 113.487 -1.688 . . . . 10.0 113.14 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -96.53 140.27 31.4 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 125.039 1.336 . . . . 10.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.73 99.53 8.73 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 124.237 1.97 . . . . 10.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -100.24 136.5 40.04 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-N 111.597 -2.547 . . . . 10.0 107.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 9.2 tptm -103.45 126.88 50.86 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 110.929 -2.851 . . . . 10.0 114.588 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -75.18 151.51 38.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 128.796 3.81 . . . . 10.0 109.373 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 134' ' ' HIS . 24.3 t -115.22 -71.91 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 111.447 -2.615 . . . . 10.0 108.428 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.438 ' N ' HG12 ' A' ' 133' ' ' VAL . 2.4 t-80 . . . . . 0 C--O 1.245 0.823 0 O-C-N 127.057 2.723 . . . . 10.0 112.588 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--O 1.209 -1.029 0 CA-C-O 123.696 1.712 . . . . 10.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -87.14 -21.08 26.18 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 112.033 -2.349 . . . . 10.0 113.842 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -49.36 133.31 19.95 Favored 'General case' 0 CA--C 1.507 -0.686 0 O-C-N 124.636 1.21 . . . . 10.0 111.723 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.34 -158.88 23.61 Favored Glycine 0 C--O 1.208 -1.508 0 CA-C-O 123.307 1.504 . . . . 10.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.56 129.51 55.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.563 -1.819 . . . . 10.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.467 ' CD1' HD12 ' A' ' 42' ' ' ILE . 20.8 m95 -123.51 118.6 27.75 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 124.946 1.404 . . . . 10.0 109.042 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HG2' ' CG2' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.79 143.49 44.56 Favored 'General case' 0 C--O 1.21 -1.021 0 O-C-N 126.69 2.493 . . . . 10.0 109.595 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.53 168.77 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 126.883 3.23 . . . . 10.0 115.449 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -142.51 -56.62 0.44 Allowed 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 109.568 -3.469 . . . . 10.0 109.778 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 p -170.7 147.79 2.87 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 126.567 2.417 . . . . 10.0 109.368 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.95 127.65 32.85 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 112.69 -2.05 . . . . 10.0 108.639 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -113.58 146.6 39.45 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 127.389 2.931 . . . . 10.0 112.33 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 51.3 27.62 3.72 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 125.545 2.593 . . . . 10.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -76.22 -30.91 58.14 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 113.079 -1.873 . . . . 10.0 112.479 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -27.24 57.47 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 111.162 -2.744 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.65 -29.59 59.17 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 112.081 -2.327 . . . . 10.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -73.38 -23.99 60.25 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 111.956 -2.384 . . . . 10.0 110.421 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 20' ' ' LEU . 55.1 mt -76.0 -39.18 56.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 126.063 2.102 . . . . 10.0 112.973 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.449 ' NH1' HH11 ' A' ' 30' ' ' ARG . 1.9 ttp-105 -62.84 -23.41 67.28 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 113.031 -1.895 . . . . 10.0 115.158 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -23.83 60.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 112.92 -1.945 . . . . 10.0 111.824 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 19' ' ' TYR . 25.0 mt -106.48 29.91 6.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.298 -1.319 . . . . 10.0 111.668 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 35.62 43.01 0.15 Allowed 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 128.471 3.607 . . . . 10.0 115.308 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -78.43 141.77 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.803 -2.908 . . . . 10.0 108.638 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -45.99 153.05 0.33 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-O 123.136 1.445 . . . . 10.0 111.413 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 p -72.48 -20.19 19.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 CA-C-N 110.271 -3.149 . . . . 10.0 111.729 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.88 -37.22 55.91 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 112.129 -2.305 . . . . 10.0 109.66 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -68.4 -22.24 64.64 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.282 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.449 HH11 ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.6 -30.57 41.56 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 125.998 2.061 . . . . 10.0 108.64 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -39.97 89.42 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 126.866 2.604 . . . . 10.0 111.73 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 57' ' ' PHE . 60.6 mt -79.04 -38.3 20.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 110.346 -3.115 . . . . 10.0 111.907 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -59.52 -22.87 62.27 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.884 -2.416 . . . . 10.0 114.713 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.62 -22.4 66.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.795 -1.548 . . . . 10.0 113.694 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.78 24.27 7.75 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 126.571 2.419 . . . . 10.0 113.564 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD21 ' CE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -105.6 94.41 5.19 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 111.804 -2.453 . . . . 10.0 109.195 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -129.59 82.38 67.47 Favored Pre-proline 0 CA--C 1.504 -0.792 0 CA-C-N 110.933 -2.849 . . . . 10.0 108.241 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 36' ' ' LEU . 4.2 Cg_exo -67.76 -171.86 0.36 Allowed 'Trans proline' 0 CA--C 1.494 -1.521 0 O-C-N 127.156 3.187 . . . . 10.0 114.68 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.28 170.51 11.8 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 111.61 -2.541 . . . . 10.0 108.512 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -141.34 145.13 35.04 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 125.256 1.598 . . . . 10.0 114.197 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -138.93 128.91 25.13 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 110.609 -2.996 . . . . 10.0 108.618 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.467 HD12 ' CD1' ' A' ' 8' ' ' TRP . 3.2 mt -121.69 145.02 28.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-N 111.841 -2.436 . . . . 10.0 112.782 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.06 80.94 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 111.876 -2.42 . . . . 10.0 110.008 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' HG2' ' CE ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -50.89 119.21 3.71 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 123.668 1.699 . . . . 10.0 114.037 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -152.15 99.9 2.57 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.263 -2.244 . . . . 10.0 108.011 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.08 131.93 1.04 Allowed Glycine 0 C--O 1.211 -1.302 0 O-C-N 126.615 2.447 . . . . 10.0 113.534 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 69.25 34.06 3.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.172 1.175 . . . . 10.0 114.172 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.464 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 1.4 m170 158.8 80.06 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 126.353 2.283 . . . . 10.0 112.32 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.448 ' CE ' ' HG2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -94.71 101.04 12.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.616 -1.629 . . . . 10.0 108.285 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.51 121.68 36.59 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 O-C-N 127.966 3.291 . . . . 10.0 110.046 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.49 108.45 25.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 111.92 -2.4 . . . . 10.0 108.883 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.97 151.48 23.71 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 110.159 -3.201 . . . . 10.0 109.555 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.7 m -148.82 96.31 2.55 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 128.866 3.854 . . . . 10.0 109.25 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.58 82.09 2.41 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 124.576 2.131 . . . . 10.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -100.61 -4.06 29.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 111.153 -2.749 . . . . 10.0 113.836 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.06 24.73 6.3 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 112.937 -1.938 . . . . 10.0 113.55 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -127.48 -68.5 0.78 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 126.582 2.426 . . . . 10.0 110.836 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.54 62.09 1.62 Allowed 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 112.761 -2.018 . . . . 10.0 111.677 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 8.8 m120 -31.56 93.73 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 127.931 3.27 . . . . 10.0 113.424 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 62' ' ' MET . 3.1 t80 -83.18 73.04 10.13 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 128.718 3.761 . . . . 10.0 114.649 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 59' ' ' ASN . 1.3 mp -100.0 117.16 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 109.879 -3.328 . . . . 10.0 112.528 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.433 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 18.7 mtt -146.86 152.09 38.14 Favored 'General case' 0 CA--C 1.495 -1.146 0 CA-C-O 124.127 1.917 . . . . 10.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -96.9 71.77 2.52 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 110.338 -3.119 . . . . 10.0 113.215 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.2 115.03 2.21 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 112.814 -1.994 . . . . 10.0 112.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 27.0 mt-30 -91.14 143.4 26.72 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 112.84 -1.982 . . . . 10.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.37 125.95 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-O 123.975 1.845 . . . . 10.0 111.943 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.86 20.51 59.43 Favored Glycine 0 C--O 1.215 -1.091 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.802 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -134.46 141.91 46.92 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-O 125.034 2.349 . . . . 10.0 114.539 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -90.63 102.44 15.19 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 111.98 -2.373 . . . . 10.0 108.034 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 70' ' ' PHE . 21.9 p90 -134.39 150.19 50.87 Favored 'General case' 0 CA--C 1.494 -1.193 0 O-C-N 127.633 3.083 . . . . 10.0 110.327 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.91 133.52 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 113.899 -1.501 . . . . 10.0 113.96 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -105.85 97.43 7.26 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.904 2.003 . . . . 10.0 113.2 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.35 105.98 2.34 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 112.174 -2.284 . . . . 10.0 112.639 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.99 10.62 34.92 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.411 1.694 . . . . 10.0 112.826 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 75' ' ' THR . 1.2 m -58.75 99.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 123.123 1.439 . . . . 10.0 111.275 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.09 -29.1 0.9 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 113.18 -1.827 . . . . 10.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.91 -65.59 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 113.567 -1.316 . . . . 10.0 112.95 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.9 1.58 8.69 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.684 1.865 . . . . 10.0 112.964 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 t70 48.43 90.45 0.02 OUTLIER 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.739 1.733 . . . . 10.0 114.339 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.25 123.25 0.13 Allowed 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.04 1.126 . . . . 10.0 114.04 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -84.97 128.99 34.87 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 125.625 1.828 . . . . 10.0 109.463 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 m -144.17 154.26 42.97 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 125.283 2.468 . . . . 10.0 110.531 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtt -81.93 138.04 35.06 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 110.391 -3.095 . . . . 10.0 111.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 85' ' ' THR . 2.7 m -127.41 153.96 45.61 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.32 -3.127 . . . . 10.0 113.406 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.451 ' N ' HG22 ' A' ' 84' ' ' THR . 0.2 OUTLIER -151.28 147.21 26.69 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 111.075 -2.784 . . . . 10.0 109.875 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.738 ' CG1' HD11 ' A' ' 93' ' ' LEU . 48.6 t -131.23 117.63 37.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 126.694 2.497 . . . . 10.0 110.402 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -122.67 156.94 33.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 124.948 2.308 . . . . 10.0 113.737 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 140.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 111.438 -2.619 . . . . 10.0 112.333 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.56 112.59 2.46 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 111.985 -2.371 . . . . 10.0 114.29 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.86 56.73 7.33 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.122 -0.944 . . . . 10.0 113.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 46.61 37.01 4.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 125.045 1.085 . . . . 10.0 113.913 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.52 109.78 8.37 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 127.041 2.713 . . . . 10.0 109.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.738 HD11 ' CG1' ' A' ' 86' ' ' VAL . 13.1 tp -81.89 130.37 35.05 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.034 -2.348 . . . . 10.0 111.404 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -134.09 164.51 27.17 Favored 'General case' 0 C--O 1.209 -1.071 0 CA-C-N 110.277 -3.147 . . . . 10.0 109.507 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 158.44 26.74 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 113.35 -1.75 . . . . 10.0 108.717 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.37 104.97 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 112.496 -2.138 . . . . 10.0 108.972 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -109.47 106.58 16.39 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.409 -1.723 . . . . 10.0 108.132 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -44.95 -55.87 5.1 Favored 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.088 3.368 . . . . 10.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.78 -157.94 0.14 Allowed Glycine 0 C--O 1.209 -1.411 0 O-C-N 126.271 2.232 . . . . 10.0 113.81 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.49 18.54 4.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 113.478 -1.361 . . . . 10.0 112.179 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -125.36 174.24 8.29 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 126.889 2.618 . . . . 10.0 108.585 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -102.71 137.68 40.61 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 124.896 1.372 . . . . 10.0 111.614 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.27 24.27 52.01 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-N 111.538 -2.574 . . . . 10.0 112.503 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -83.77 129.43 34.94 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.983 -1.608 . . . . 10.0 113.137 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.87 142.39 4.71 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 112.98 -1.918 . . . . 10.0 111.344 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -96.31 -175.57 3.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 113.574 -1.313 . . . . 10.0 113.055 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.8 m -160.54 117.55 2.42 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 128.062 3.351 . . . . 10.0 110.413 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.561 ' HG2' HD21 ' A' ' 115' ' ' LEU . 6.0 mt-30 -103.53 126.57 50.76 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 126.097 2.123 . . . . 10.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 10.6 t90 -147.84 103.36 3.49 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.751 1.739 . . . . 10.0 108.658 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.3 mt -78.45 151.67 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.835 0 CA-C-N 113.026 -1.897 . . . . 10.0 112.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -137.13 75.69 1.54 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 110.689 -2.96 . . . . 10.0 110.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.67 -106.55 2.54 Favored Glycine 0 C--O 1.213 -1.214 0 CA-C-N 112.431 -2.168 . . . . 10.0 110.588 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.71 71.54 0.76 Allowed 'General case' 0 CA--C 1.497 -1.087 0 CA-C-N 111.111 -2.545 . . . . 10.0 111.3 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.69 140.66 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 111.142 -2.754 . . . . 10.0 109.905 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.561 HD21 ' HG2' ' A' ' 108' ' ' GLN . 0.9 OUTLIER -98.72 108.04 20.64 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 111.044 -2.798 . . . . 10.0 114.197 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 94.52 9.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-N 111.686 -2.507 . . . . 10.0 110.806 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.543 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.0 tp -107.04 138.04 43.97 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.695 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -131.28 95.04 3.68 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 127.962 3.289 . . . . 10.0 113.421 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.12 133.1 35.07 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 125.29 1.619 . . . . 10.0 111.155 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -126.62 140.19 52.61 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 115.096 -0.956 . . . . 10.0 110.811 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -155.95 114.56 3.44 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 127.627 3.079 . . . . 10.0 111.415 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.59 19.91 4.91 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 112.868 -1.969 . . . . 10.0 112.268 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.51 -14.72 64.11 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 111.241 -2.709 . . . . 10.0 112.108 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.5 t -79.68 130.46 36.01 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.955 0 O-C-N 125.579 1.399 . . . . 10.0 108.009 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 55.0 m -97.1 131.65 43.66 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 112.69 -2.05 . . . . 10.0 113.509 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -124.29 118.3 26.48 Favored 'General case' 0 C--N 1.341 0.204 0 O-C-N 125.661 1.851 . . . . 10.0 108.577 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -114.72 114.7 25.97 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 126.098 2.124 . . . . 10.0 112.956 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -106.34 155.29 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 127.819 3.199 . . . . 10.0 108.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.92 124.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 O-C-N 125.062 1.476 . . . . 10.0 113.263 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.408 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 52.7 m-85 -116.91 118.48 32.57 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 122.455 1.122 . . . . 10.0 109.728 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 tmtp? -82.38 127.87 33.68 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 123.982 1.849 . . . . 10.0 109.688 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 136.69 36.57 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' ' 9' ' ' LYS . 1.7 t -125.28 1.2 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 114.315 -1.311 . . . . 10.0 113.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 134' ' ' HIS . 10.6 m-70 . . . . . 0 C--O 1.242 0.693 0 CA-C-O 113.516 -3.135 . . . . 10.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.512 -0.505 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.586 ' HB3' HG21 ' A' ' 42' ' ' ILE . 5.2 m-30 -101.86 -16.94 16.41 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.799 3.187 . . . . 10.0 114.043 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -54.36 115.45 2.1 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 126.157 2.161 . . . . 10.0 113.683 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.71 -171.78 31.16 Favored Glycine 0 C--O 1.216 -0.996 0 CA-C-O 125.316 2.62 . . . . 10.0 112.517 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.441 ' C ' ' CG ' ' A' ' 8' ' ' TRP . 8.1 m-85 -103.92 143.1 33.3 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 112.67 -1.765 . . . . 10.0 113.313 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.736 ' CE3' HD13 ' A' ' 115' ' ' LEU . 10.1 m95 -146.79 146.11 30.14 Favored 'General case' 0 CA--C 1.501 -0.929 1 O-C-N 129.154 4.034 . . . . 10.0 110.169 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -128.8 156.65 43.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 128.045 3.341 . . . . 10.0 110.302 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 128.96 41.67 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 128.112 3.383 . . . . 10.0 110.76 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.98 -60.74 1.62 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 110.069 -3.241 . . . . 10.0 111.653 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -144.48 150.12 37.08 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 112.609 -2.087 . . . . 10.0 109.584 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -101.53 -178.59 3.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 124.145 1.926 . . . . 10.0 109.979 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -173.7 114.84 0.22 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 111.897 -2.41 . . . . 10.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 57.38 33.49 23.36 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 124.957 2.313 . . . . 10.0 112.564 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 78.3 t80 -78.45 -25.97 46.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.331 -2.213 . . . . 10.0 108.414 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -75.41 -39.62 58.78 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 128.013 3.321 . . . . 10.0 111.985 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.16 -25.78 60.94 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.635 2.46 . . . . 10.0 112.028 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.75 -29.0 50.82 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.374 -2.194 . . . . 10.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.56 -30.58 66.04 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.301 -2.227 . . . . 10.0 113.097 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -71.71 -25.26 62.01 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 113.666 -1.606 . . . . 10.0 114.307 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 122' ' ' GLU . . . -71.31 -27.83 63.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.494 1.14 . . . . 10.0 112.554 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -97.04 7.7 46.09 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 125.296 2.474 . . . . 10.0 107.986 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER 51.29 44.52 28.79 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.379 -1.737 . . . . 10.0 114.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.41 132.41 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.173 0 CA-C-N 113.153 -1.84 . . . . 10.0 111.511 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -45.44 153.82 0.22 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 125.74 2.686 . . . . 10.0 114.998 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 27' ' ' VAL . 6.5 t -68.99 -28.72 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 CA-C-N 111.28 -2.691 . . . . 10.0 113.193 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.84 47.8 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 124.734 2.207 . . . . 10.0 111.633 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -29.76 66.94 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 111.172 -2.74 . . . . 10.0 111.525 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -75.39 -33.48 61.01 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 125.938 2.024 . . . . 10.0 113.065 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -34.01 77.07 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 127.156 2.785 . . . . 10.0 111.418 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -78.52 -34.17 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.009 0 CA-C-N 109.44 -3.527 . . . . 10.0 112.109 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -66.72 -23.84 66.16 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-O 124.151 1.929 . . . . 10.0 112.593 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -70.86 -28.06 64.29 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.631 -1.293 . . . . 10.0 112.59 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.5 mt -90.61 -37.16 13.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 126.986 2.679 . . . . 10.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.23 166.91 17.12 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 110.562 -3.017 . . . . 10.0 114.215 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.94 68.13 0.07 OUTLIER Pre-proline 0 C--O 1.21 -1.003 0 CA-C-N 110.499 -3.046 . . . . 10.0 108.488 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -56.23 170.6 1.11 Allowed 'Trans proline' 0 C--O 1.21 -0.92 0 O-C-N 126.064 2.613 . . . . 10.0 113.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.31 138.62 36.15 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 111.927 -2.397 . . . . 10.0 111.43 -179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -105.19 130.85 53.25 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.969 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -125.31 97.86 5.39 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.571 -1.195 . . . . 10.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' A' ' 4' ' ' PHE . 4.3 mp -82.64 131.34 33.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 C-N-CA 119.568 -0.853 . . . . 10.0 112.242 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 t -125.51 88.39 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 126.203 2.189 . . . . 10.0 111.314 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -86.15 141.33 29.45 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 113.36 -1.745 . . . . 10.0 110.408 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -156.23 66.15 0.57 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 126.181 2.175 . . . . 10.0 113.084 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 98.63 0.03 OUTLIER Glycine 0 C--O 1.213 -1.168 0 CA-C-N 110.943 -2.844 . . . . 10.0 109.17 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 72.85 -58.78 0.59 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 127.607 2.592 . . . . 10.0 110.686 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -59.57 139.73 56.91 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.668 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.9 ttm -152.9 89.81 1.41 Allowed 'General case' 0 CA--C 1.506 -0.713 1 O-C-N 129.107 4.004 . . . . 10.0 111.479 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 52' ' ' ARG . 3.1 mt -84.6 126.19 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 112.093 -2.321 . . . . 10.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 51' ' ' ILE . 3.3 mt -110.28 89.4 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 127.663 3.102 . . . . 10.0 109.136 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HG3' HG22 ' A' ' 50' ' ' ILE . 7.9 mtm180 -85.65 126.95 34.32 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 127.837 3.21 . . . . 10.0 114.898 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.512 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 m -114.07 96.26 5.72 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-O 125.471 2.557 . . . . 10.0 111.463 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -77.48 115.67 17.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.165 -3.198 . . . . 10.0 114.611 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 p -158.91 132.38 7.36 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 111.874 -2.421 . . . . 10.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 p -47.99 -31.5 5.41 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 112.407 -2.178 . . . . 10.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -64.99 -57.61 8.27 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 128.103 3.377 . . . . 10.0 113.983 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -157.45 129.53 7.16 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 123.118 1.437 . . . . 10.0 111.425 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -81.01 103.51 10.88 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.531 -1.668 . . . . 10.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.512 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 46.9 t80 -102.52 108.39 19.68 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 125.711 1.882 . . . . 10.0 113.352 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.44 126.07 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 112.147 -2.297 . . . . 10.0 111.678 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.51 120.49 5.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 112.742 -2.026 . . . . 10.0 112.62 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -64.41 159.39 21.4 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.394 2.309 . . . . 10.0 107.426 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -114.55 -47.5 2.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 127.047 2.717 . . . . 10.0 113.028 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 60.36 99.06 0.03 OUTLIER 'General case' 0 C--O 1.211 -0.968 0 O-C-N 125.795 1.934 . . . . 10.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.924 HG22 HG11 ' A' ' 86' ' ' VAL . 1.7 t -82.73 132.86 30.38 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 O-C-N 127.8 3.187 . . . . 10.0 110.539 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.15 -13.9 66.54 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 112.141 -2.3 . . . . 10.0 114.009 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 170.27 8.15 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 123.777 1.751 . . . . 10.0 109.918 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -81.67 118.49 22.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.015 -2.812 . . . . 10.0 107.7 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -99.5 148.18 24.52 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 112.592 -2.094 . . . . 10.0 115.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.83 77.77 1.14 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 112.984 -1.917 . . . . 10.0 112.684 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.65 139.2 13.01 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 126.087 2.117 . . . . 10.0 113.738 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -130.17 109.28 10.68 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 111.014 -2.812 . . . . 10.0 113.052 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.57 19.89 13.81 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 111.368 -2.651 . . . . 10.0 112.187 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.5 133.87 40.94 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.345 2.278 . . . . 10.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.487 ' C ' HD12 ' A' ' 77' ' ' ILE . . . 114.99 -22.49 12.39 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-O 125.954 2.974 . . . . 10.0 108.56 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.566 HG22 ' N ' ' A' ' 78' ' ' ASP . 1.5 mp -101.7 -68.68 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.713 -2.244 . . . . 10.0 109.464 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.566 ' N ' HG22 ' A' ' 77' ' ' ILE . 37.2 t70 -124.3 3.77 8.47 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 126.412 2.32 . . . . 10.0 112.709 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.31 64.44 1.36 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-O 123.283 1.516 . . . . 10.0 108.81 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.93 164.48 29.88 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 111.094 -2.776 . . . . 10.0 108.299 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.81 133.03 0.2 Allowed 'General case' 0 C--O 1.209 -1.029 0 O-C-N 125.047 1.467 . . . . 10.0 110.484 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.0 m -146.4 175.96 10.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 O-C-N 126.882 2.614 . . . . 10.0 110.679 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.8 mtm -80.87 155.62 26.47 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 111.139 -2.755 . . . . 10.0 108.111 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -154.6 160.82 41.7 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 110.914 -2.857 . . . . 10.0 113.479 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.3 131.02 8.97 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 124.2 1.953 . . . . 10.0 111.281 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.924 HG11 HG22 ' A' ' 66' ' ' VAL . 89.9 t -99.19 148.23 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-N 110.864 -2.88 . . . . 10.0 110.084 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.3 p -157.04 -177.6 6.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 113.536 -1.665 . . . . 10.0 113.123 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -118.83 137.54 53.34 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 110.704 -2.953 . . . . 10.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.5 39.71 2.44 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 111.794 -2.457 . . . . 10.0 111.238 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.8 -98.77 0.38 Allowed Glycine 0 C--O 1.219 -0.79 0 CA-C-O 125.089 2.494 . . . . 10.0 110.785 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.15 -51.68 2.84 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 110.973 -2.614 . . . . 10.0 108.797 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.498 ' CG ' ' HB2' ' A' ' 109' ' ' TRP . 0.2 OUTLIER -57.39 153.25 12.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 111.53 -2.577 . . . . 10.0 113.896 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 93' ' ' LEU . 7.5 tt -104.45 85.43 2.35 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 111.221 -2.718 . . . . 10.0 107.714 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.91 149.82 23.15 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 110.423 -3.081 . . . . 10.0 113.724 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.671 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -146.12 123.22 11.46 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 112.676 -2.057 . . . . 10.0 111.395 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.23 146.68 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 112.176 -2.284 . . . . 10.0 109.367 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -110.83 133.26 53.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -96.84 29.06 3.17 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 127.937 3.273 . . . . 10.0 115.374 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.25 -177.86 4.22 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 112.756 -2.02 . . . . 10.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.83 -10.31 24.94 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.644 1.688 . . . . 10.0 111.827 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -83.16 -168.18 1.98 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 110.832 -2.895 . . . . 10.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -132.9 119.34 20.05 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.521 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.61 -28.77 6.34 Favored Glycine 0 C--N 1.332 0.337 0 N-CA-C 109.87 -1.292 . . . . 10.0 109.87 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.41 135.58 21.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.088 1.423 . . . . 10.0 111.406 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.29 140.67 2.94 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-N 111.999 -2.364 . . . . 10.0 111.515 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.458 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -104.11 158.83 16.16 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 112.348 -1.926 . . . . 10.0 114.829 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -159.36 146.49 16.97 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.336 -2.665 . . . . 10.0 112.086 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.423 ' NE2' ' CE2' ' A' ' 4' ' ' PHE . 7.1 tt0 -167.33 148.55 5.64 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.415 -1.266 . . . . 10.0 113.441 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.498 ' HB2' ' CG ' ' A' ' 92' ' ' LYS . 13.1 t-105 -162.88 136.17 5.85 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 110.368 -3.106 . . . . 10.0 109.114 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 47.9 mt -94.82 130.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 O-C-N 127.058 2.724 . . . . 10.0 114.804 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 98.14 5.62 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 111.375 -2.648 . . . . 10.0 109.174 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.01 -118.43 5.37 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 111.303 -2.68 . . . . 10.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -111.91 42.6 1.71 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 114.107 -1.047 . . . . 10.0 111.63 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -150.93 133.7 15.77 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.27 -1.332 . . . . 10.0 114.308 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.736 HD13 ' CE3' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -92.77 112.92 25.04 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 112.612 -2.085 . . . . 10.0 110.006 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -124.16 92.99 3.78 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 124.257 1.98 . . . . 10.0 114.479 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 118' ' ' GLU . 3.0 pp -90.81 173.62 7.9 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 122.747 1.26 . . . . 10.0 108.985 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 117' ' ' LEU . 28.5 mt-10 -140.86 92.1 2.47 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 110.854 -2.885 . . . . 10.0 111.923 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mtp -86.77 138.08 31.9 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 113.026 -1.897 . . . . 10.0 111.798 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 59.6 mtt180 -134.01 162.62 31.58 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 127.724 3.14 . . . . 10.0 110.282 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 165.4 133.7 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 125.529 1.768 . . . . 10.0 111.653 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.661 ' HB2' ' HB1' ' A' ' 22' ' ' ALA . 1.9 mm-40 55.37 36.25 26.7 Favored 'General case' 0 CA--C 1.5 -0.957 0 O-C-N 126.536 2.397 . . . . 10.0 114.41 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.02 20.04 78.71 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 114.922 -1.035 . . . . 10.0 111.529 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.63 136.13 54.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.999 1.646 . . . . 10.0 109.139 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 25.6 m -116.19 141.27 48.36 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 126.193 2.183 . . . . 10.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.1 149.06 29.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 125.602 1.814 . . . . 10.0 109.225 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 122.68 16.96 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 113.527 -1.67 . . . . 10.0 114.22 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -100.2 136.65 39.77 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 125.961 2.038 . . . . 10.0 108.46 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.42 94.72 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-O 125.854 2.74 . . . . 10.0 110.996 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.74 170.14 10.69 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 111.539 -2.573 . . . . 10.0 111.782 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -154.39 135.57 13.98 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.991 -1.459 . . . . 10.0 113.966 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -59.11 153.38 18.15 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 114.121 -1.399 . . . . 10.0 111.165 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 t -134.16 -52.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 CA-C-N 113.765 -1.561 . . . . 10.0 110.331 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.506 -0.721 0 CA-C-O 115.131 -2.366 . . . . 10.0 108.527 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 114.071 1.137 . . . . 10.0 114.071 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -103.21 -5.29 23.29 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.302 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -61.18 153.09 26.9 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 125.136 2.398 . . . . 10.0 110.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 114.7 -173.67 14.95 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 112.456 -2.156 . . . . 10.0 110.06 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.451 ' CD1' ' HG2' ' A' ' 41' ' ' GLU . 8.0 m-85 -115.38 121.93 44.29 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 114.351 -0.925 . . . . 10.0 112.867 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.736 ' CD2' HD13 ' A' ' 115' ' ' LEU . 4.8 m0 -105.97 112.39 25.41 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 126.657 2.473 . . . . 10.0 111.719 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HB3' HG21 ' A' ' 133' ' ' VAL . 13.6 pttp -93.39 148.32 22.16 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttm -90.82 144.23 25.92 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 123.644 1.688 . . . . 10.0 113.752 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -108.03 -39.87 5.39 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 111.339 -2.664 . . . . 10.0 112.368 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -171.57 -179.0 2.42 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 112.912 -1.949 . . . . 10.0 111.184 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.46 147.43 19.01 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 112.681 -2.054 . . . . 10.0 110.322 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -117.87 138.24 52.25 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 113.225 -1.807 . . . . 10.0 112.979 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 61.03 34.05 19.42 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 123.317 1.532 . . . . 10.0 109.703 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.778 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 11.3 t80 -69.59 -41.04 76.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 113.723 -1.581 . . . . 10.0 111.853 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.87 -29.84 62.32 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.958 -0.565 . . . . 10.0 112.01 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.31 -30.07 60.24 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 125.419 1.699 . . . . 10.0 111.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CZ ' ' HE1' ' A' ' 119' ' ' MET . 0.5 OUTLIER -73.32 -30.61 63.48 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 110.753 -2.93 . . . . 10.0 112.833 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.6 -40.47 56.45 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 125.921 2.013 . . . . 10.0 111.683 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -21.55 63.92 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.383 2.302 . . . . 10.0 113.9 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.15 58.48 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.997 -2.365 . . . . 10.0 112.672 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -97.75 20.1 12.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 O-C-N 125.454 1.721 . . . . 10.0 114.184 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 57.76 43.35 22.07 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 113.392 -1.731 . . . . 10.0 114.158 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 29' ' ' LEU . 5.6 t -78.95 150.97 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 CA-C-N 111.052 -2.795 . . . . 10.0 113.72 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -67.96 151.16 47.54 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-O 123.655 1.693 . . . . 10.0 112.431 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -67.26 -21.86 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 114.915 1.45 . . . . 10.0 114.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.17 53.78 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 110.784 -2.916 . . . . 10.0 110.365 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -77.28 -22.68 51.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 111.89 -2.414 . . . . 10.0 109.995 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -30.26 42.43 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.067 2.729 . . . . 10.0 111.731 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -69.72 -38.42 76.89 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 110.544 -3.026 . . . . 10.0 113.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.62 HG23 ' CZ ' ' A' ' 57' ' ' PHE . 45.8 mt -77.08 -25.13 15.33 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 111.868 -2.424 . . . . 10.0 111.986 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -71.4 -31.06 66.83 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 125.344 2.497 . . . . 10.0 113.569 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.32 -26.71 61.16 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 111.025 -2.807 . . . . 10.0 113.21 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -104.33 14.44 30.22 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 110.421 -3.081 . . . . 10.0 112.158 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mt -98.79 128.18 44.94 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 114.169 -1.378 . . . . 10.0 112.407 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -143.28 64.53 14.12 Favored Pre-proline 0 N--CA 1.449 -0.522 0 CA-C-N 113.777 -1.556 . . . . 10.0 113.062 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -74.85 152.3 41.38 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-N 114.308 -0.997 . . . . 10.0 114.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.22 120.24 41.8 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 110.353 -3.112 . . . . 10.0 108.3 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -82.35 156.47 24.22 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 124.891 2.282 . . . . 10.0 110.671 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' HG2' ' CD1' ' A' ' 7' ' ' TYR . 70.5 mt-10 -140.06 103.76 4.69 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 110.272 -3.149 . . . . 10.0 110.618 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.503 HD12 ' CH2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -100.67 147.41 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 CA-C-N 110.621 -2.99 . . . . 10.0 110.792 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -150.03 90.97 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 O-C-N 128.614 3.696 . . . . 10.0 113.186 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -86.55 118.0 25.69 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 110.007 -3.269 . . . . 10.0 108.407 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -119.01 42.45 2.81 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.617 -1.174 . . . . 10.0 113.846 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.9 106.73 0.21 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 108.92 -1.672 . . . . 10.0 108.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 70.56 -66.13 0.3 Allowed 'General case' 0 C--N 1.343 0.316 0 O-C-N 125.523 1.367 . . . . 10.0 108.26 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.57 149.77 45.56 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 126.403 2.314 . . . . 10.0 109.201 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 ttp -153.53 153.02 31.61 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 127.512 3.007 . . . . 10.0 111.948 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 146.24 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 127.282 2.864 . . . . 10.0 109.829 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.7 mt -137.2 100.58 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.668 1.187 . . . . 10.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -103.96 112.78 25.9 Favored 'General case' 0 C--O 1.208 -1.079 0 O-C-N 128.922 3.889 . . . . 10.0 114.58 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 m -98.8 108.91 21.72 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 124.111 1.91 . . . . 10.0 109.164 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.49 93.66 7.33 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 110.733 -2.939 . . . . 10.0 114.703 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.02 41.17 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 110.628 -2.987 . . . . 10.0 108.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -88.42 54.72 3.14 Favored 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 125.595 1.809 . . . . 10.0 112.876 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.62 ' CZ ' HG23 ' A' ' 32' ' ' ILE . 32.4 m-85 -143.85 -71.45 0.29 Allowed 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 127.406 2.941 . . . . 10.0 112.281 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 4.98 1.98 Allowed 'General case' 0 CA--C 1.494 -1.183 0 C-N-CA 116.998 -1.881 . . . . 10.0 115.645 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.3 172.74 0.13 Allowed 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 117.315 -1.754 . . . . 10.0 113.651 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 177.3 105.71 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.847 1.785 . . . . 10.0 112.305 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.93 138.99 53.14 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 CA-C-N 113.855 -1.52 . . . . 10.0 112.92 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 mtp -146.56 158.37 43.89 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.181 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.4 46.64 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 125.269 1.605 . . . . 10.0 107.962 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.29 93.86 4.34 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 115.589 1.7 . . . . 10.0 115.589 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.3 93.35 1.48 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 113.255 -1.793 . . . . 10.0 108.481 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.32 133.65 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 CA-C-N 114.616 -1.174 . . . . 10.0 113.804 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.39 -15.13 62.02 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 127.501 3.001 . . . . 10.0 113.982 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -106.67 154.0 21.58 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 125.352 1.266 . . . . 10.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.7 126.4 52.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.082 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -142.06 176.62 8.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.731 -1.122 . . . . 10.0 113.258 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.22 156.79 33.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 114.921 -1.036 . . . . 10.0 111.657 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' OE2' HD21 ' A' ' 74' ' ' LEU . 1.1 tp10 -136.43 100.95 4.51 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 125.799 1.937 . . . . 10.0 108.855 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.36 111.31 23.67 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 115.112 1.523 . . . . 10.0 115.112 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.439 HD21 ' OE2' ' A' ' 72' ' ' GLU . 23.0 mt -113.32 56.9 0.68 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.051 -1.886 . . . . 10.0 109.167 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.8 15.97 10.21 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 112.551 -2.113 . . . . 10.0 114.123 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.675 ' O ' HD13 ' A' ' 77' ' ' ILE . . . -131.32 12.33 5.5 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 113.66 -1.609 . . . . 10.0 110.781 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -132.51 -61.71 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.02 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.97 15.3 1.72 Allowed 'General case' 0 CA--C 1.502 -0.887 0 O-C-N 127.713 3.133 . . . . 10.0 113.647 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 37.16 87.97 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 O-C-N 125.876 1.985 . . . . 10.0 114.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -58.69 2.12 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.628 1.344 . . . . 10.0 114.628 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mttt 68.99 107.34 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 128.937 3.898 . . . . 10.0 108.468 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.8 -168.13 2.9 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 126.728 2.518 . . . . 10.0 112.556 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mmt -124.82 147.39 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 125.14 1.525 . . . . 10.0 107.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 96' ' ' VAL . 10.6 m -143.18 143.39 31.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 124.622 2.153 . . . . 10.0 113.557 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.1 m -141.22 132.67 26.84 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.011 -2.359 . . . . 10.0 110.059 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.1 t -100.92 115.47 42.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 127.853 3.221 . . . . 10.0 110.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.31 137.38 46.39 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 113.499 -1.682 . . . . 10.0 109.136 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 116.08 21.43 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 127.209 2.818 . . . . 10.0 108.159 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.8 -4.87 15.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 127.864 3.227 . . . . 10.0 111.8 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.41 138.32 3.92 Favored Glycine 0 C--O 1.218 -0.869 0 O-C-N 125.092 1.495 . . . . 10.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.89 -74.44 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 125.853 1.561 . . . . 10.0 111.472 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.16 146.63 24.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.386 2.929 . . . . 10.0 108.29 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.46 145.56 24.41 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 125.855 1.972 . . . . 10.0 111.966 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -123.42 122.09 37.4 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 126.313 2.258 . . . . 10.0 112.777 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.2 m -124.38 92.53 3.68 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 114.263 -1.335 . . . . 10.0 109.09 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 84' ' ' THR . 76.2 t -90.76 139.54 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 124.54 1.15 . . . . 10.0 111.026 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 104' ' ' ARG . 9.3 tt0 -115.53 109.26 17.55 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.343 -2.208 . . . . 10.0 108.849 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.19 108.49 16.47 Favored 'General case' 0 C--O 1.207 -1.154 0 CA-C-O 122.905 1.335 . . . . 10.0 114.211 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.42 -137.15 3.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 110.719 -2.946 . . . . 10.0 111.704 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.12 -43.09 3.61 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 113.457 -1.372 . . . . 10.0 114.232 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.0 169.98 15.81 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 125.889 1.993 . . . . 10.0 113.82 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -84.95 165.39 17.65 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 109.842 -3.345 . . . . 10.0 109.694 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.01 -98.05 2.11 Favored Glycine 0 C--O 1.213 -1.183 0 CA-C-N 111.315 -2.675 . . . . 10.0 109.717 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER 25.72 69.95 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.781 1 O-C-N 130.046 4.027 . . . . 10.0 111.994 -179.981 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.89 111.17 0.39 Allowed Glycine 0 C--N 1.351 1.371 0 CA-C-N 111.528 -2.578 . . . . 10.0 114.461 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.697 ' CE3' HD21 ' A' ' 117' ' ' LEU . 10.7 m0 -90.32 138.02 31.87 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 124.995 2.331 . . . . 10.0 112.968 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.93 115.0 22.9 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 112.193 -2.276 . . . . 10.0 112.069 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -89.02 152.27 21.79 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.932 -1.94 . . . . 10.0 110.978 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -161.42 96.53 1.07 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.513 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.06 152.13 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 113.376 -1.738 . . . . 10.0 109.993 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -160.2 97.43 1.25 Allowed 'General case' 0 C--N 1.345 0.38 0 CA-C-N 114.037 -1.438 . . . . 10.0 112.398 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 58.39 -104.14 0.44 Allowed Glycine 0 C--O 1.207 -1.541 0 O-C-N 126.238 2.211 . . . . 10.0 113.329 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.08 42.97 3.07 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.307 1.527 . . . . 10.0 110.042 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -157.37 127.39 6.25 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 111.835 -2.439 . . . . 10.0 113.058 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.736 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -103.53 104.8 14.9 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 113.208 -1.814 . . . . 10.0 109.512 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -91.74 80.94 5.26 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.334 0.865 . . . . 10.0 113.334 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.697 HD21 ' CE3' ' A' ' 106' ' ' TRP . 1.1 tp -81.51 141.21 34.03 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-O 125.763 2.696 . . . . 10.0 113.648 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -106.98 109.58 21.51 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 109.753 -3.385 . . . . 10.0 108.292 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.53 ' HG3' ' CZ2' ' A' ' 106' ' ' TRP . 0.8 OUTLIER -107.43 119.68 40.09 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 125.575 1.797 . . . . 10.0 115.112 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -115.89 142.52 46.67 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.775 -1.557 . . . . 10.0 109.899 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -167.59 105.9 0.53 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.491 -1.231 . . . . 10.0 112.672 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.48 36.67 2.17 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 110.234 -3.166 . . . . 10.0 114.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.58 -1.12 89.19 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 112.716 -2.038 . . . . 10.0 111.615 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.65 123.13 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 C-N-CA 118.87 -1.132 . . . . 10.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 74.3 m -91.84 122.07 34.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.691 2.495 . . . . 10.0 112.818 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 130.25 41.3 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 127.638 3.086 . . . . 10.0 109.306 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -119.68 114.73 22.63 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 123.717 1.722 . . . . 10.0 114.109 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -93.64 140.29 29.8 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 113.936 -1.484 . . . . 10.0 108.589 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.42 114.08 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 CA-C-N 113.514 -1.676 . . . . 10.0 114.648 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.45 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 10.0 m-30 -101.21 175.52 5.56 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.62 -0.832 . . . . 10.0 112.123 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.464 ' HB2' HD12 ' A' ' 11' ' ' LEU . 10.4 tptm -154.33 109.62 3.13 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 122.984 1.374 . . . . 10.0 108.814 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -55.25 108.42 0.41 Allowed 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.418 -1.719 . . . . 10.0 113.474 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 9' ' ' LYS . 23.6 t -81.59 -24.75 9.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 126.802 2.564 . . . . 10.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 113.541 -3.123 . . . . 10.0 111.944 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 CA--C 1.499 -1.008 0 CA-C-O 126.645 3.117 . . . . 10.0 113.059 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 93' ' ' LEU . 1.5 m-85 -99.97 -7.75 24.77 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.839 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.39 142.42 55.43 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 125.449 1.718 . . . . 10.0 110.466 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.75 -158.13 27.58 Favored Glycine 0 CA--C 1.497 -1.033 0 CA-C-N 111.288 -2.687 . . . . 10.0 113.015 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 41' ' ' GLU . 3.1 m-85 -130.34 99.36 5.0 Favored 'General case' 0 CA--C 1.496 -1.135 0 O-C-N 127.02 2.247 . . . . 10.0 113.094 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.762 ' CD2' HD13 ' A' ' 115' ' ' LEU . 1.1 m0 -98.0 135.82 39.16 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 123.814 1.768 . . . . 10.0 110.074 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.99 157.27 38.26 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 110.831 -2.895 . . . . 10.0 108.822 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -55.11 179.99 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 127.608 3.068 . . . . 10.0 114.047 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -162.37 -51.98 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.276 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -164.15 165.84 21.77 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 125.603 1.814 . . . . 10.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.34 117.33 27.5 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 111.51 -2.586 . . . . 10.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.74 129.01 54.3 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.694 -1.593 . . . . 10.0 112.492 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 47.3 37.75 6.29 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 125.476 1.735 . . . . 10.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.616 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 29.6 t80 -78.86 -21.35 47.66 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-N 113.649 -1.614 . . . . 10.0 111.658 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.67 -45.85 28.02 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 114.115 1.154 . . . . 10.0 114.115 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -21.87 64.38 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.048 2.832 . . . . 10.0 113.849 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 80.1 t80 -75.78 -30.23 59.04 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 111.832 -2.44 . . . . 10.0 114.412 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' HG11 ' A' ' 25' ' ' VAL . 42.5 mt -74.05 -28.75 61.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 128.972 3.92 . . . . 10.0 113.022 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -72.99 -22.37 60.69 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 110.423 -3.08 . . . . 10.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.5 67.49 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.127 1.517 . . . . 10.0 114.359 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.69 12.73 34.4 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 112.491 -2.14 . . . . 10.0 114.459 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 49.38 30.96 3.55 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 124.089 1.9 . . . . 10.0 114.487 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.425 HG11 ' HB3' ' A' ' 20' ' ' LEU . 1.2 p -62.42 147.33 11.69 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 CA-C-N 111.998 -2.364 . . . . 10.0 110.652 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.54 149.07 14.35 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.025 2.703 . . . . 10.0 111.41 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.77 -26.05 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 111.315 -2.675 . . . . 10.0 114.142 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.02 -41.58 61.61 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 125.457 2.551 . . . . 10.0 112.475 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.3 tp -71.51 -29.59 64.96 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 112.323 -2.217 . . . . 10.0 112.823 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -74.37 -24.37 59.13 Favored 'General case' 0 CA--C 1.514 -0.422 0 O-C-N 126.35 2.281 . . . . 10.0 110.273 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -78.21 -39.83 39.31 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 110.793 -2.912 . . . . 10.0 109.43 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.561 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mt -74.51 -36.59 42.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 126.971 2.669 . . . . 10.0 112.978 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -69.15 -21.65 63.99 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.367 1.247 . . . . 10.0 114.367 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.84 -29.49 64.46 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 127.454 2.971 . . . . 10.0 109.836 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.6 mt -89.6 -24.77 21.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD12 ' HD3' ' A' ' 38' ' ' PRO . 4.0 pp -96.66 166.42 11.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 126.572 2.42 . . . . 10.0 114.983 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -150.92 102.11 3.03 Favored Pre-proline 0 C--O 1.214 -0.802 0 O-C-N 128.611 3.694 . . . . 10.0 107.684 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HD3' HD12 ' A' ' 36' ' ' LEU . 9.2 Cg_endo -77.05 147.8 26.97 Favored 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-O 126.746 2.728 . . . . 10.0 115.539 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -108.23 128.55 54.82 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 110.13 -3.214 . . . . 10.0 109.019 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HB3' HD11 ' A' ' 42' ' ' ILE . 7.3 mttt -107.26 144.42 34.09 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 7' ' ' TYR . 8.9 mt-10 -125.22 101.71 7.12 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 112.264 -2.244 . . . . 10.0 108.496 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.524 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 4.6 mp -106.71 142.86 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.867 0 CA-C-O 124.588 2.137 . . . . 10.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.31 139.38 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 CA-C-N 109.963 -3.29 . . . . 10.0 111.388 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -128.88 102.09 6.38 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.871 -2.877 . . . . 10.0 108.816 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -88.44 -33.16 17.95 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 114.335 -1.302 . . . . 10.0 111.363 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.49 -92.91 0.09 OUTLIER Glycine 0 C--O 1.211 -1.288 0 O-C-N 127.052 2.72 . . . . 10.0 113.033 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.72 -45.79 27.98 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.855 -2.672 . . . . 10.0 110.723 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -89.3 164.04 15.09 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.836 -2.438 . . . . 10.0 112.825 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.7 ttm -156.08 102.59 2.15 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.104 -1.407 . . . . 10.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 50' ' ' ILE . 21.7 mt -87.22 136.14 23.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 125.746 1.904 . . . . 10.0 110.098 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mt -114.81 128.9 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 128.39 3.556 . . . . 10.0 110.291 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -117.7 123.53 46.3 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 111.214 -2.721 . . . . 10.0 110.144 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -119.77 118.38 30.69 Favored 'General case' 0 CA--C 1.494 -1.203 0 O-C-N 128.441 3.588 . . . . 10.0 108.897 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.29 90.9 3.5 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.191 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.0 p -103.17 0.59 31.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 124.412 2.054 . . . . 10.0 109.783 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 57' ' ' PHE . 0.8 OUTLIER 72.48 -61.58 0.49 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 111.827 -2.442 . . . . 10.0 110.106 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.612 ' N ' HG22 ' A' ' 56' ' ' THR . 0.5 OUTLIER -49.57 -46.61 49.14 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 123.988 1.851 . . . . 10.0 110.82 179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.01 107.48 2.08 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 113.381 -1.736 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 59' ' ' ASN . 1.2 m120 -83.14 140.86 32.36 Favored 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 126.097 2.123 . . . . 10.0 109.829 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.446 ' C ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -116.8 115.8 26.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 113.576 -1.647 . . . . 10.0 110.4 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 61' ' ' ILE . 4.2 mp -129.66 118.91 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.818 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 mtt -137.25 157.92 45.56 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 110.47 -3.059 . . . . 10.0 108.337 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -112.13 95.14 5.29 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 125.801 2.715 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.9 150.34 46.86 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 110.691 -2.959 . . . . 10.0 111.547 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' A' ' 68' ' ' LYS . 31.5 mt-30 -137.74 109.02 6.85 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 112.189 -2.278 . . . . 10.0 111.011 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.82 122.48 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 O-C-N 127.727 3.142 . . . . 10.0 113.371 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.77 -2.85 87.75 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 112.927 -1.942 . . . . 10.0 114.473 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 65' ' ' GLN . 1.2 ttmt -114.31 147.58 38.86 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.259 1.028 . . . . 10.0 111.347 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.87 141.73 28.1 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 112.972 -1.922 . . . . 10.0 113.759 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 20.9 p90 -161.35 163.7 30.54 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 126.775 2.547 . . . . 10.0 110.556 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.78 158.79 35.47 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.281 1.613 . . . . 10.0 112.811 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.62 96.3 3.13 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 111.306 -2.679 . . . . 10.0 111.95 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.81 107.9 19.57 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 110.813 -2.903 . . . . 10.0 112.602 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASP . 16.5 mt -102.94 62.05 0.8 Allowed 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 109.893 -3.321 . . . . 10.0 112.305 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -104.33 24.74 11.09 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 125.317 2.484 . . . . 10.0 112.714 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.16 17.63 5.36 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 109.886 -3.324 . . . . 10.0 109.757 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 77' ' ' ILE . 33.1 mt -151.06 -60.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 112.92 -1.64 . . . . 10.0 114.336 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -131.74 -1.37 3.81 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 115.836 1.791 . . . . 10.0 115.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' LEU . 18.3 m-20 51.59 95.24 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 124.167 1.937 . . . . 10.0 114.711 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.08 128.08 0.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 110.642 -2.981 . . . . 10.0 112.126 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -90.83 135.6 33.62 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 125.401 1.688 . . . . 10.0 112.379 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.6 m -147.21 171.55 15.2 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 112.83 -1.986 . . . . 10.0 111.843 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 mtp -115.46 151.62 34.44 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.81 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 m -132.56 147.22 52.35 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.32 127.14 23.77 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 124.502 1.121 . . . . 10.0 109.709 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.1 t -103.02 136.43 35.65 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 125.541 2.591 . . . . 10.0 109.87 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.81 147.25 33.84 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 111.018 -2.81 . . . . 10.0 112.191 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -95.83 153.57 17.68 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 113.932 -1.485 . . . . 10.0 109.732 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -123.57 -57.53 1.64 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 113.752 -1.567 . . . . 10.0 112.671 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.53 83.63 0.1 Allowed Glycine 0 C--O 1.21 -1.405 0 O-C-N 126.571 2.42 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 52.96 32.71 13.16 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.356 -2.422 . . . . 10.0 111.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -142.17 122.95 14.32 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 127.624 3.078 . . . . 10.0 108.688 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 93' ' ' LEU . 9.4 tt -88.95 107.69 19.16 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 126.531 2.394 . . . . 10.0 110.223 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.89 165.5 11.15 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 125.827 1.954 . . . . 10.0 110.435 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.8 t -137.2 104.66 5.47 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 125.597 1.811 . . . . 10.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 96' ' ' VAL . 24.6 t -99.99 100.86 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 109.823 -3.353 . . . . 10.0 113.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -103.29 114.55 28.93 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 111.202 -2.726 . . . . 10.0 107.986 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -64.21 -64.46 0.88 Allowed 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.131 1.52 . . . . 10.0 112.422 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 44.42 -142.65 2.87 Favored Glycine 0 N--CA 1.471 1.026 0 O-C-N 124.89 1.369 . . . . 10.0 112.814 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -113.56 148.43 36.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 113.437 -1.382 . . . . 10.0 112.93 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt 68.92 179.11 0.24 Allowed 'General case' 0 C--O 1.217 -0.608 0 O-C-N 128.09 3.368 . . . . 10.0 109.57 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.76 163.87 12.63 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 126.692 2.495 . . . . 10.0 109.643 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.01 -40.88 2.27 Favored Glycine 0 C--N 1.346 1.098 0 O-C-N 125.526 1.766 . . . . 10.0 112.644 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -39.89 130.33 2.02 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.096 1.704 . . . . 10.0 112.213 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.93 141.97 6.19 Favored Glycine 0 CA--C 1.497 -1.054 0 O-C-N 126.672 2.483 . . . . 10.0 112.22 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -117.32 -177.65 3.27 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 126.888 3.232 . . . . 10.0 114.135 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.61 146.61 19.66 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 110.605 -2.998 . . . . 10.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 162.26 32.51 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.89 -2.868 . . . . 10.0 110.069 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -170.06 119.69 0.61 Allowed 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 112.992 -1.913 . . . . 10.0 110.376 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 79.9 mt -87.64 109.02 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.67 -1.15 . . . . 10.0 113.477 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.39 118.29 26.37 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 127.862 3.226 . . . . 10.0 114.308 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 56.64 -100.93 0.12 Allowed Glycine 0 C--N 1.345 1.063 0 CA-C-N 111.695 -2.502 . . . . 10.0 111.202 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.94 31.11 4.23 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-O 124.085 1.897 . . . . 10.0 112.234 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -125.31 165.0 19.13 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.02 -2.354 . . . . 10.0 109.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.762 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.31 75.9 1.46 Allowed 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 128.351 3.532 . . . . 10.0 109.227 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -69.33 115.98 9.23 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.105 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.69 123.34 48.07 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 111.161 -2.745 . . . . 10.0 108.193 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.44 100.72 8.99 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 127.757 3.161 . . . . 10.0 111.521 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 25.4 mtp -90.37 138.25 31.7 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 127.341 2.901 . . . . 10.0 110.342 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 mtp-105 -129.18 140.99 51.29 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 126.49 2.369 . . . . 10.0 109.152 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -176.27 121.9 0.16 Allowed 'General case' 0 C--O 1.215 -0.724 0 O-C-N 125.352 1.657 . . . . 10.0 112.815 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.59 25.66 13.18 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 111.313 -2.676 . . . . 10.0 112.125 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.69 9.21 87.06 Favored Glycine 0 CA--C 1.499 -0.908 0 CA-C-N 113.532 -1.667 . . . . 10.0 112.693 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.28 139.74 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 112.796 -1.702 . . . . 10.0 108.467 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 m -110.48 127.61 55.23 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 125.412 1.695 . . . . 10.0 115.03 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 36.5 t -136.26 125.05 23.94 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.027 -2.806 . . . . 10.0 109.004 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -117.29 83.83 2.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.168 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -69.5 136.57 51.62 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 118.335 -1.346 . . . . 10.0 107.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.91 149.37 12.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 CA-C-O 126.498 3.047 . . . . 10.0 113.815 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -149.83 133.52 16.78 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 109.925 -3.307 . . . . 10.0 111.368 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 2.3 tptm -112.5 104.75 12.86 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.524 1.765 . . . . 10.0 114.969 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 131.51 50.22 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.28 -1.327 . . . . 10.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.57 -41.76 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 N-CA-C 114.99 1.478 . . . . 10.0 114.99 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 . . . . . 0 C--O 1.259 1.589 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.213 -179.771 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 122.199 0.999 . . . . 10.0 113.338 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.73 -11.95 52.35 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 112.585 -2.098 . . . . 10.0 111.378 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -63.52 114.3 3.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 113.458 -1.701 . . . . 10.0 109.618 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.57 -156.27 26.49 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 111.348 -2.66 . . . . 10.0 111.522 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -124.35 100.55 6.74 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 111.539 -2.33 . . . . 10.0 108.673 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CZ3' HD12 ' A' ' 115' ' ' LEU . 7.1 m95 -104.53 121.66 43.94 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 119.922 -0.711 . . . . 10.0 111.661 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -95.2 173.35 7.6 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.826 -1.988 . . . . 10.0 108.753 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mtm -125.57 124.53 41.47 Favored 'General case' 0 C--O 1.211 -0.937 1 O-C-N 130.049 4.593 . . . . 10.0 108.2 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.6 mm? -110.02 -40.34 4.77 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.205 2.907 . . . . 10.0 115.398 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.0 p -135.88 170.02 16.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 109.473 -3.512 . . . . 10.0 114.821 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.51 176.24 8.14 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 110.91 -2.859 . . . . 10.0 108.438 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -147.92 -53.48 0.2 Allowed 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.933 2.646 . . . . 10.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -134.58 35.14 3.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 128.34 3.525 . . . . 10.0 114.511 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.608 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 12.7 t80 -68.33 -25.2 64.99 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 125.704 2.668 . . . . 10.0 114.349 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.81 -35.94 62.46 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.572 -2.104 . . . . 10.0 109.307 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -25.03 44.56 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-O 123.972 1.844 . . . . 10.0 113.519 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.45 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 66.4 t80 -73.02 -24.74 60.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.738 -2.483 . . . . 10.0 113.874 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 74.7 mt -79.58 -33.34 41.78 Favored 'General case' 0 CA--C 1.493 -1.223 0 CA-C-O 124.181 1.944 . . . . 10.0 112.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -25.38 62.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 123.857 1.789 . . . . 10.0 110.266 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.19 62.66 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.23 6.69 17.54 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 124.682 1.239 . . . . 10.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.97 84.31 0.11 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 125.061 2.362 . . . . 10.0 112.16 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 20' ' ' LEU . 35.8 t -116.65 144.5 24.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 113.379 -1.737 . . . . 10.0 109.646 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' O ' HG12 ' A' ' 25' ' ' VAL . 35.9 m120 -61.99 154.9 25.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.93 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.2 -25.61 34.3 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-O 124.303 2.001 . . . . 10.0 114.733 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -76.77 -31.31 56.96 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.012 -2.358 . . . . 10.0 114.129 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.05 -23.32 44.32 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 111.144 -2.753 . . . . 10.0 112.005 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -76.98 -24.06 52.28 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -34.49 59.21 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 124.605 1.19 . . . . 10.0 110.812 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.2 mt -78.01 -27.09 14.77 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 CA-C-O 124.189 1.947 . . . . 10.0 112.152 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -76.33 -24.29 54.28 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 111.522 -2.581 . . . . 10.0 112.11 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -80.04 -32.46 39.46 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.002 2.81 . . . . 10.0 108.928 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 mt -81.79 -0.33 42.72 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 111.379 -2.646 . . . . 10.0 111.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.1 mt -104.63 130.36 52.65 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 123.403 1.573 . . . . 10.0 113.287 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -152.72 63.25 4.79 Favored Pre-proline 0 C--O 1.208 -1.089 0 CA-C-N 113.131 -1.849 . . . . 10.0 109.518 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 172.63 13.94 Favored 'Trans proline' 0 CA--C 1.498 -1.317 0 C-N-CA 122.572 2.181 . . . . 10.0 111.393 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.6 132.0 54.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 111.314 -2.675 . . . . 10.0 109.413 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -87.97 128.71 35.38 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 111.436 -2.62 . . . . 10.0 111.428 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -110.56 99.97 8.85 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 42' ' ' ILE . 7.2 mm -88.91 137.03 22.02 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-O 121.893 0.854 . . . . 10.0 112.558 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -137.56 73.89 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 111.782 -2.463 . . . . 10.0 111.414 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.83 146.04 33.91 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 125.841 2.734 . . . . 10.0 113.413 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -151.98 75.79 1.16 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-N 110.552 -3.022 . . . . 10.0 111.683 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.96 -91.59 0.01 OUTLIER Glycine 0 C--O 1.211 -1.32 0 CA-C-N 112.626 -2.079 . . . . 10.0 114.104 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.06 49.78 0.81 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.116 -0.542 . . . . 10.0 110.579 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.762 ' CE1' HD11 ' A' ' 50' ' ' ILE . 17.4 t-160 -175.42 111.11 0.12 Allowed 'General case' 0 C--N 1.349 0.573 0 O-C-N 128.017 3.323 . . . . 10.0 111.162 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.5 mtp -130.88 90.79 2.95 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.873 1.358 . . . . 10.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.762 HD11 ' CE1' ' A' ' 48' ' ' HIS . 57.5 mt -81.74 122.22 36.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 126.216 2.197 . . . . 10.0 113.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 64' ' ' PHE . 3.0 mt -108.68 123.95 64.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.112 0 CA-C-N 113.348 -1.751 . . . . 10.0 111.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -118.29 144.88 45.48 Favored 'General case' 0 C--O 1.212 -0.868 0 CA-C-N 111.753 -2.476 . . . . 10.0 112.681 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -123.0 98.58 5.96 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 109.708 -3.406 . . . . 10.0 110.436 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -89.71 88.77 7.51 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 113.824 -1.534 . . . . 10.0 112.448 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 p -97.77 -43.01 7.33 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 127.603 3.064 . . . . 10.0 112.278 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 93.87 9.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.703 1 O-C-N 129.551 4.282 . . . . 10.0 111.636 179.907 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -59.38 2.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 109.8 -3.364 . . . . 10.0 109.701 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -156.2 49.38 0.5 Allowed 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.344 -3.116 . . . . 10.0 111.013 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -10.57 107.24 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.669 1 O-C-N 129.7 4.375 . . . . 10.0 115.044 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.38 111.43 23.78 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 113.112 -1.858 . . . . 10.0 114.835 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.75 126.41 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 113.488 -1.687 . . . . 10.0 109.788 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.4 mtp -125.82 123.66 39.2 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.368 3.542 . . . . 10.0 114.59 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -92.53 71.51 5.07 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 126.563 2.415 . . . . 10.0 108.683 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -72.8 88.52 1.32 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 124.245 1.974 . . . . 10.0 113.854 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 44.4 mt-30 -90.14 116.78 28.41 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 113.052 -1.886 . . . . 10.0 109.119 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 124.09 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.71 0 CA-C-N 114.22 -1.355 . . . . 10.0 113.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 5.34 73.86 Favored Glycine 0 C--N 1.339 0.733 0 O-C-N 126.219 2.199 . . . . 10.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -112.6 141.57 46.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 112.338 -1.931 . . . . 10.0 111.259 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.24 137.37 48.07 Favored 'General case' 0 C--O 1.209 -1.049 0 O-C-N 126.697 2.498 . . . . 10.0 112.854 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 38.0 p90 -156.96 177.38 11.57 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 110.31 -3.132 . . . . 10.0 114.029 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.82 150.39 29.21 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 125.762 2.696 . . . . 10.0 114.244 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -114.63 146.79 40.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 111.319 -2.673 . . . . 10.0 109.666 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.47 106.32 10.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 110.415 -3.084 . . . . 10.0 111.648 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 77' ' ' ILE . 1.4 mp -97.04 37.23 1.33 Allowed 'General case' 0 C--O 1.21 -1.022 0 O-C-N 126.232 2.208 . . . . 10.0 110.45 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -0.14 19.6 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.943 -1.026 . . . . 10.0 113.634 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.64 19.8 6.99 Favored Glycine 0 C--O 1.219 -0.788 0 N-CA-C 108.66 -1.776 . . . . 10.0 108.66 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.7 HD12 ' HG ' ' A' ' 74' ' ' LEU . 11.3 mt -134.75 -60.84 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-O 123.434 1.587 . . . . 10.0 109.337 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.81 20.72 0.32 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.954 -1.93 . . . . 10.0 114.106 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 37.92 81.47 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 125.414 1.696 . . . . 10.0 114.214 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.479 ' HD2' ' CE ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -116.04 -60.46 1.86 Allowed 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 126.966 2.666 . . . . 10.0 113.969 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.99 107.22 0.07 Allowed 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 128.259 3.474 . . . . 10.0 110.481 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.456 ' HB3' ' HA3' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -133.37 -171.54 2.73 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 111.209 -2.723 . . . . 10.0 112.787 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 10.0 mtt -104.71 177.63 4.79 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.735 -2.938 . . . . 10.0 107.651 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.493 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -162.92 139.31 7.32 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 127.92 3.262 . . . . 10.0 113.678 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.68 148.97 30.68 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 109.783 -3.371 . . . . 10.0 109.441 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 64' ' ' PHE . 2.8 t -135.23 137.7 49.77 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 112.09 -2.323 . . . . 10.0 111.559 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -132.53 173.01 11.77 Favored 'General case' 0 C--O 1.217 -0.653 1 O-C-N 129.919 4.512 . . . . 10.0 110.009 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -130.03 120.82 25.32 Favored 'General case' 0 CA--C 1.506 -0.719 0 O-C-N 126.496 2.373 . . . . 10.0 112.573 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -119.85 94.99 4.58 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.246 -1.797 . . . . 10.0 113.983 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.75 -128.69 8.77 Favored Glycine 0 CA--C 1.5 -0.849 0 O-C-N 126.39 2.306 . . . . 10.0 111.102 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.64 28.52 5.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.252 -2.474 . . . . 10.0 110.083 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -131.4 167.3 19.53 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.609 -1.632 . . . . 10.0 109.464 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 108' ' ' GLN . 2.3 tp -132.07 128.9 39.2 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.307 -1.315 . . . . 10.0 111.384 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.83 140.29 34.62 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 126.493 2.371 . . . . 10.0 107.85 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 168.65 12.54 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 110.996 -2.82 . . . . 10.0 111.791 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.44 144.82 22.04 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 113.032 -1.895 . . . . 10.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -145.93 83.54 1.64 Allowed 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.599 -3.0 . . . . 10.0 109.91 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 113.12 21.69 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 125.029 2.347 . . . . 10.0 113.318 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' A' ' 82' ' ' CYS . . . -138.64 61.57 0.57 Allowed Glycine 0 C--O 1.211 -1.341 0 N-CA-C 107.913 -2.075 . . . . 10.0 107.913 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.28 83.71 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 124.071 1.891 . . . . 10.0 113.481 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.479 ' CE ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -166.34 171.2 12.31 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.964 -2.38 . . . . 10.0 111.479 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -106.82 129.48 54.66 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 128.008 3.317 . . . . 10.0 112.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 44.24 77.25 0.1 OUTLIER Glycine 0 C--O 1.208 -1.507 0 CA-C-O 126.017 3.01 . . . . 10.0 113.973 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -177.28 3.47 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 109.059 -3.57 . . . . 10.0 108.657 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.71 146.01 11.69 Favored Glycine 0 N--CA 1.472 1.096 0 CA-C-N 112.307 -2.224 . . . . 10.0 111.846 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -101.82 158.77 15.88 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 112.696 -1.752 . . . . 10.0 109.937 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.566 HG23 ' N ' ' A' ' 108' ' ' GLN . 0.4 OUTLIER -146.8 169.88 18.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.236 2.21 . . . . 10.0 108.842 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.613 ' HB2' HD23 ' A' ' 93' ' ' LEU . 2.3 mt-30 -149.82 149.7 30.9 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 126.355 2.285 . . . . 10.0 109.983 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -158.55 139.9 13.32 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 113.291 -1.777 . . . . 10.0 111.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.5 127.11 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 125.878 1.986 . . . . 10.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -98.75 -44.28 6.46 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.325 1.536 . . . . 10.0 114.159 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 155.23 100.75 0.18 Allowed Glycine 0 C--O 1.21 -1.388 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.921 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.43 28.98 14.46 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 112.532 -1.834 . . . . 10.0 110.397 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.84 93.88 0.15 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 125.477 2.561 . . . . 10.0 108.885 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.532 HD12 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -66.23 161.85 21.26 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 111.45 -2.614 . . . . 10.0 110.56 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -152.1 143.33 23.27 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 109.69 -3.414 . . . . 10.0 111.989 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 159.9 41.96 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 127.225 2.828 . . . . 10.0 113.073 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.4 121.69 37.26 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 112.108 -2.315 . . . . 10.0 109.101 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.5 mtp -107.64 116.49 32.05 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 111.795 -2.457 . . . . 10.0 112.002 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 61.9 mtt180 -127.24 167.32 16.26 Favored 'General case' 0 CA--C 1.498 -1.025 0 O-C-N 125.979 2.05 . . . . 10.0 111.764 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 162.09 128.47 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 127.02 2.7 . . . . 10.0 109.327 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.5 22.26 5.23 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 126.863 2.602 . . . . 10.0 113.413 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.03 10.97 85.99 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 126.164 2.165 . . . . 10.0 113.968 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.1 t -113.35 135.11 53.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.105 0 CA-C-N 113.208 -1.496 . . . . 10.0 109.409 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 126' ' ' CYS . 0.4 OUTLIER -111.47 166.71 10.9 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 125.744 1.902 . . . . 10.0 114.841 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.486 ' N ' HG23 ' A' ' 125' ' ' THR . 7.8 t -164.06 131.16 3.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 111.45 -2.613 . . . . 10.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -125.27 146.14 49.68 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 125.687 1.867 . . . . 10.0 114.234 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 135.56 44.12 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 128.649 3.718 . . . . 10.0 113.907 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 130' ' ' PHE . 9.0 t -99.8 154.42 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 126.378 2.299 . . . . 10.0 109.199 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.512 ' N ' HG12 ' A' ' 129' ' ' VAL . 2.9 m-85 -133.55 167.56 20.24 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 127.935 3.272 . . . . 10.0 112.965 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -143.53 115.18 8.15 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 127.249 2.843 . . . . 10.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 154.58 35.32 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.351 -1.749 . . . . 10.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.03 -54.34 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 127.846 3.216 . . . . 10.0 110.136 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.247 0.962 0 CA-C-N 111.503 -2.59 . . . . 10.0 114.214 -179.747 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 124.77 2.224 . . . . 10.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -136.11 76.99 1.63 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 111.19 -2.732 . . . . 10.0 108.492 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -149.3 107.6 3.77 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 110.641 -2.981 . . . . 10.0 110.359 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.4 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 164.54 -166.62 37.98 Favored Glycine 0 C--O 1.221 -0.678 0 C-N-CA 118.828 -1.653 . . . . 10.0 113.402 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 4.0 m-85 -116.23 102.49 9.62 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.672 2.042 . . . . 10.0 112.881 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 4.1 m95 -107.93 123.66 48.96 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.523 -1.217 . . . . 10.0 111.47 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -114.29 154.75 27.43 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 128.166 3.416 . . . . 10.0 109.48 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.6 ttm -78.84 152.64 31.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 111.422 -2.626 . . . . 10.0 114.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt -130.28 -48.55 1.09 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 113.954 -1.476 . . . . 10.0 113.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.8 m -148.5 166.47 28.11 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 125.459 1.724 . . . . 10.0 113.367 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -116.11 -165.9 1.09 Allowed 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 109.794 -3.366 . . . . 10.0 107.812 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -162.3 -54.84 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 128.511 3.632 . . . . 10.0 112.949 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -141.32 25.24 2.07 Favored 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.387 2.929 . . . . 10.0 109.861 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.546 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 73.6 t80 -71.87 -25.48 61.96 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 112.882 -1.963 . . . . 10.0 112.585 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.04 -34.09 61.82 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.322 1.534 . . . . 10.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.39 -30.18 61.85 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 112.566 -2.106 . . . . 10.0 112.875 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 23' ' ' LEU . 2.1 t80 -70.14 -28.33 65.27 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 109.7 -3.409 . . . . 10.0 114.104 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 16' ' ' PHE . 41.5 mt -66.2 -21.5 66.31 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 126.316 2.96 . . . . 10.0 114.059 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -71.32 -42.52 68.51 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.42 -2.173 . . . . 10.0 113.452 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -23.91 46.4 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-O 125.521 2.582 . . . . 10.0 115.415 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 25' ' ' VAL . 56.5 mt -101.76 -1.47 32.35 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.272 -2.24 . . . . 10.0 112.058 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.16 21.98 11.09 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.882 -1.963 . . . . 10.0 111.534 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 23' ' ' LEU . 9.3 t -59.2 124.66 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 126.93 2.644 . . . . 10.0 107.503 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.86 140.94 0.1 Allowed 'General case' 0 C--O 1.221 -0.402 0 O-C-N 126.691 2.494 . . . . 10.0 112.261 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.23 -23.82 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.203 0 N-CA-C 115.134 1.531 . . . . 10.0 115.134 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.36 29.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 110.493 -3.049 . . . . 10.0 111.533 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -33.99 77.1 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 111.866 -2.425 . . . . 10.0 114.026 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -74.96 -27.41 60.16 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 112.603 -2.09 . . . . 10.0 109.635 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -37.87 67.53 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 126.103 2.858 . . . . 10.0 110.185 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.444 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -75.55 -29.12 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 111.37 -2.65 . . . . 10.0 109.931 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -62.2 -22.46 65.94 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 126.953 2.658 . . . . 10.0 113.956 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.13 -34.13 74.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 112.749 -2.023 . . . . 10.0 113.923 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.14 28.37 8.82 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 123.701 1.715 . . . . 10.0 111.231 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -119.6 109.5 15.76 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 109.855 -3.338 . . . . 10.0 109.843 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -140.39 85.35 13.47 Favored Pre-proline 0 CA--C 1.501 -0.923 0 CA-C-N 111.206 -2.725 . . . . 10.0 110.002 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -85.0 167.43 10.98 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 123.843 3.029 . . . . 10.0 109.064 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.85 143.27 45.39 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 110.094 -3.23 . . . . 10.0 108.78 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -101.92 145.31 29.42 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.513 1.149 . . . . 10.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -132.27 85.64 2.26 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 114.003 -1.453 . . . . 10.0 108.95 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.1 mt -82.83 137.28 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 CA-C-N 110.857 -2.883 . . . . 10.0 114.633 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -135.15 101.58 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 125.034 2.35 . . . . 10.0 109.684 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -92.87 136.64 33.07 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 112.009 -2.36 . . . . 10.0 110.133 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -144.35 46.76 1.4 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.636 -1.62 . . . . 10.0 114.053 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 131.31 -128.66 5.46 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-O 125.445 2.692 . . . . 10.0 112.239 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -19.07 54.39 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 112.881 -1.66 . . . . 10.0 111.248 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 17.6 m170 -101.63 165.7 11.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 128.322 3.514 . . . . 10.0 111.784 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 ttm -165.35 104.57 0.74 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 113.358 -1.746 . . . . 10.0 111.397 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.51 116.76 28.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 128.642 3.714 . . . . 10.0 110.574 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.544 HD12 ' HB2' ' A' ' 64' ' ' PHE . 4.2 mt -106.91 137.07 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 127.903 3.252 . . . . 10.0 109.573 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HB2' HG13 ' A' ' 61' ' ' ILE . 10.1 ptt180 -148.09 128.74 14.17 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 117.839 -1.544 . . . . 10.0 113.397 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.2 m -94.23 132.21 39.03 Favored 'General case' 0 CA--C 1.509 -0.628 1 O-C-N 129.294 4.121 . . . . 10.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.461 HD23 HD22 ' A' ' 59' ' ' ASN . 13.8 mt -120.67 116.82 26.04 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 112.12 -2.309 . . . . 10.0 113.971 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.26 140.86 18.91 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.183 -1.826 . . . . 10.0 109.779 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -18.77 64.37 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.319 2.887 . . . . 10.0 109.254 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HB2' HD21 ' A' ' 36' ' ' LEU . 9.1 t80 -78.83 -33.24 46.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.513 0.673 . . . . 10.0 110.003 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -179.95 134.99 0.11 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 112.089 -2.323 . . . . 10.0 112.649 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.461 HD22 HD23 ' A' ' 54' ' ' LEU . 8.5 m120 -102.8 106.23 16.79 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.832 -2.44 . . . . 10.0 108.548 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -109.76 99.6 8.73 Favored 'General case' 0 CA--C 1.498 -1.032 0 O-C-N 126.782 2.551 . . . . 10.0 114.191 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 52' ' ' ARG . 2.9 mt -105.37 144.33 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.788 0 CA-C-N 111.473 -2.603 . . . . 10.0 110.97 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.8 mtm -151.1 166.84 29.56 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 125.739 2.685 . . . . 10.0 111.574 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.36 116.87 27.1 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.848 -2.887 . . . . 10.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.544 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -99.46 139.2 35.46 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 124.198 1.952 . . . . 10.0 110.56 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 1.7 mp0 -134.03 114.92 13.72 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 111.666 -2.515 . . . . 10.0 108.656 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.67 123.8 37.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 CA-C-O 123.549 1.643 . . . . 10.0 110.507 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.45 12.13 65.41 Favored Glycine 0 C--O 1.21 -1.373 0 CA-C-N 112.389 -2.187 . . . . 10.0 110.309 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -120.98 145.76 47.4 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 123.622 1.677 . . . . 10.0 111.262 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.42 125.42 53.85 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.944 -1.48 . . . . 10.0 110.186 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 8.1 p90 -160.56 169.44 22.94 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.262 0.976 . . . . 10.0 111.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.35 143.14 55.26 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 112.34 -2.209 . . . . 10.0 111.411 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.693 ' O ' HD12 ' A' ' 74' ' ' LEU . 7.7 tt0 -123.1 78.8 1.6 Allowed 'General case' 0 C--O 1.213 -0.821 0 O-C-N 127.254 2.846 . . . . 10.0 109.563 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.18 96.65 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 109.854 -3.339 . . . . 10.0 109.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -101.0 47.33 0.92 Allowed 'General case' 0 C--O 1.207 -1.183 0 CA-C-O 124.472 2.082 . . . . 10.0 108.132 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 m -83.41 0.51 45.78 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.95 1.77 33.65 Favored Glycine 0 C--O 1.208 -1.477 0 CA-C-O 123.13 1.405 . . . . 10.0 110.182 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.96 -74.08 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 113.042 -1.579 . . . . 10.0 113.322 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -137.16 28.14 2.84 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 117.074 -1.441 . . . . 10.0 111.671 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.6 p-10 28.97 70.26 0.07 Allowed 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 128.71 3.756 . . . . 10.0 112.185 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -130.53 36.79 3.9 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.836 -1.075 . . . . 10.0 113.093 -179.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 115.93 0.16 Allowed 'General case' 0 C--O 1.213 -0.866 0 O-C-N 128.915 3.885 . . . . 10.0 112.433 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 80' ' ' ARG . 1.6 m -148.42 -172.99 4.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 127.152 2.782 . . . . 10.0 111.826 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.4 mtm -88.92 141.04 28.83 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.749 1.388 . . . . 10.0 114.749 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.3 m -141.18 127.24 19.48 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.319 -2.673 . . . . 10.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -122.61 139.7 53.63 Favored 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 127.004 2.69 . . . . 10.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.703 HG22 ' HB2' ' A' ' 95' ' ' CYS . 87.4 t -111.89 146.07 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 113.793 -1.549 . . . . 10.0 112.434 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 t -123.4 160.82 25.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 112.842 -1.981 . . . . 10.0 109.791 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -120.61 77.18 1.25 Allowed 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 123.676 1.703 . . . . 10.0 109.201 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -33.78 76.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 112.471 -2.15 . . . . 10.0 114.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.89 126.73 2.64 Favored Glycine 0 C--O 1.213 -1.169 0 CA-C-N 111.608 -2.542 . . . . 10.0 110.308 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.22 -86.41 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 O-C-N 126.046 1.674 . . . . 10.0 107.668 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.49 129.03 40.0 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 125.901 2.001 . . . . 10.0 111.255 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -95.64 105.46 17.45 Favored 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 124.248 0.968 . . . . 10.0 109.482 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.54 143.66 40.57 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 123.383 1.563 . . . . 10.0 109.293 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.703 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -132.19 140.08 48.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 111.004 -2.816 . . . . 10.0 110.503 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.76 146.25 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.064 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.83 157.86 36.5 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.208 -2.269 . . . . 10.0 108.747 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -111.63 -71.47 0.76 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 125.151 1.532 . . . . 10.0 109.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.31 -144.44 19.65 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 119.405 -1.379 . . . . 10.0 111.899 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.58 16.27 4.4 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 128.264 2.979 . . . . 10.0 111.2 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -108.99 161.3 15.29 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-N 114.865 -1.061 . . . . 10.0 113.121 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -84.36 84.11 7.75 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.774 2.546 . . . . 10.0 114.279 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.02 -109.16 0.72 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-N 112.563 -2.108 . . . . 10.0 112.802 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 48.43 92.24 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.702 0 O-C-N 127.089 2.288 . . . . 10.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.2 90.43 0.09 OUTLIER Glycine 0 C--O 1.213 -1.183 0 O-C-N 127.245 2.841 . . . . 10.0 113.022 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -64.85 167.49 7.51 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 111.811 -2.194 . . . . 10.0 114.105 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 60.6 m -158.78 122.14 3.81 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 128.732 3.77 . . . . 10.0 108.39 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.55 141.09 47.58 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.209 2.193 . . . . 10.0 111.699 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -162.23 109.28 1.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 124.447 2.07 . . . . 10.0 110.353 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.1 mt -69.93 138.1 22.74 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 112.643 -2.071 . . . . 10.0 111.838 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 63.24 1.34 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 125.528 1.767 . . . . 10.0 110.654 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.59 -132.28 11.2 Favored Glycine 0 C--O 1.219 -0.811 0 O-C-N 125.511 1.757 . . . . 10.0 111.75 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -78.54 -9.37 59.31 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 126.699 2.058 . . . . 10.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.496 ' OE2' HG13 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -119.28 132.13 55.86 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 125.122 1.514 . . . . 10.0 111.549 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.37 149.55 22.95 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 113.872 -1.513 . . . . 10.0 111.019 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.652 ' C ' HD23 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -142.51 137.49 30.26 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 127.207 2.817 . . . . 10.0 112.588 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -145.11 147.64 32.75 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 112.511 -2.131 . . . . 10.0 111.395 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -108.82 77.33 1.07 Allowed 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 125.137 2.399 . . . . 10.0 111.481 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 18.8 mtm -68.52 146.9 52.71 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 111.904 -2.407 . . . . 10.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -144.79 155.67 43.63 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 111.401 -2.636 . . . . 10.0 112.201 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -179.13 122.24 0.08 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 123.055 1.407 . . . . 10.0 114.495 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 59.34 25.64 14.35 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 113.002 -1.908 . . . . 10.0 112.19 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.96 80.8 Favored Glycine 0 N--CA 1.474 1.187 0 CA-C-N 114.732 -1.122 . . . . 10.0 113.658 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.4 t -95.43 126.91 47.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 CA-C-O 124.237 1.97 . . . . 10.0 109.691 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 36.9 m -110.21 144.2 39.23 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 124.961 2.315 . . . . 10.0 109.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 133.74 22.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 109.608 -3.451 . . . . 10.0 110.634 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -109.17 86.65 2.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 126.765 2.54 . . . . 10.0 113.768 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 145.45 55.73 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 128.199 3.437 . . . . 10.0 108.811 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.648 HG22 ' CE1' ' A' ' 116' ' ' HIS . 94.4 t -123.12 129.05 75.23 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.914 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.258 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -127.44 172.15 10.93 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 124.876 1.36 . . . . 10.0 109.284 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -149.08 130.25 14.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 124.725 2.202 . . . . 10.0 113.26 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -68.63 116.0 8.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.314 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.38 -35.12 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-N 111.726 -2.488 . . . . 10.0 109.476 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 CA--C 1.513 -0.48 0 O-C-N 127.422 2.951 . . . . 10.0 113.625 179.716 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 CA--C 1.499 -0.993 0 N-CA-C 113.486 0.921 . . . . 10.0 113.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -77.12 -22.28 52.92 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.263 1.982 . . . . 10.0 111.81 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.77 138.77 41.44 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 110.712 -2.949 . . . . 10.0 108.454 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.78 -176.96 18.96 Favored Glycine 0 C--O 1.217 -0.947 0 O-C-N 126.492 2.37 . . . . 10.0 108.942 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -113.55 126.21 55.05 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 119.018 -1.073 . . . . 10.0 113.195 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.674 ' CE3' HD13 ' A' ' 115' ' ' LEU . 0.8 OUTLIER -105.46 140.46 38.53 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 127.118 2.761 . . . . 10.0 110.008 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -136.62 134.88 37.83 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 125.503 2.573 . . . . 10.0 109.286 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mmm -61.27 152.07 30.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 110.329 -3.123 . . . . 10.0 114.584 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.008 HD12 HG12 ' A' ' 129' ' ' VAL . 86.0 mt -120.72 -52.76 2.11 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 126.488 2.368 . . . . 10.0 108.957 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -165.93 161.88 17.84 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 128.687 3.742 . . . . 10.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.96 -178.71 3.73 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 112.531 -2.122 . . . . 10.0 107.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -146.23 -57.18 0.29 Allowed 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 113.875 -1.511 . . . . 10.0 110.445 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -130.69 32.17 4.42 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 126.472 2.358 . . . . 10.0 111.203 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -72.91 -27.86 62.12 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-O 122.855 1.312 . . . . 10.0 109.389 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.13 -50.62 18.62 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 113.29 -1.777 . . . . 10.0 112.822 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.6 -25.25 62.96 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.668 -2.06 . . . . 10.0 112.16 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -67.64 -22.77 65.31 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 111.624 -2.535 . . . . 10.0 112.911 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 20' ' ' LEU . 22.7 mt -77.99 -26.49 48.67 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 123.809 1.766 . . . . 10.0 109.757 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -70.63 -26.77 63.63 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.301 -1.772 . . . . 10.0 112.773 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -69.17 -38.56 78.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 111.186 -2.733 . . . . 10.0 112.258 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' OD2' ' A' ' 78' ' ' ASP . 48.9 mt -92.19 8.7 36.86 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 112.944 -1.935 . . . . 10.0 112.689 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.15 34.91 18.75 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 112.709 -2.041 . . . . 10.0 113.068 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.5 138.88 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 CA-C-N 114.534 -1.212 . . . . 10.0 111.816 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -48.61 157.28 0.38 Allowed 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 111.919 -2.401 . . . . 10.0 111.564 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG13 ' H ' ' A' ' 27' ' ' VAL . 1.8 m -73.4 -21.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 110.831 -2.895 . . . . 10.0 111.811 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.62 76.02 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.379 2.924 . . . . 10.0 113.417 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -25.42 60.06 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.91 -2.859 . . . . 10.0 111.556 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -71.1 -32.2 68.73 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 124.816 1.322 . . . . 10.0 111.094 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -45.62 64.44 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 128.756 3.785 . . . . 10.0 112.768 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.435 HG22 HD12 ' A' ' 36' ' ' LEU . 32.1 mt -72.49 -24.15 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 110.053 -3.249 . . . . 10.0 112.529 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.69 67.83 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 126.347 2.279 . . . . 10.0 114.17 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -74.62 -32.29 62.26 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 128.001 3.313 . . . . 10.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.35 12.0 28.52 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.101 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.56 109.26 19.99 Favored 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 117.701 -1.6 . . . . 10.0 113.199 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -138.85 82.4 20.64 Favored Pre-proline 0 C--O 1.211 -0.926 0 CA-C-N 113.279 -1.782 . . . . 10.0 111.262 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -85.35 174.53 6.93 Favored 'Trans proline' 0 CA--C 1.511 -0.641 0 O-C-N 126.875 3.04 . . . . 10.0 109.132 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.61 108.37 8.53 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 124.144 1.926 . . . . 10.0 110.235 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 1.1 mtpt -62.73 143.26 57.62 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.282 -2.236 . . . . 10.0 113.79 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' HD13 ' A' ' 42' ' ' ILE . 10.4 tt0 -130.32 111.94 12.84 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 113.044 -1.889 . . . . 10.0 108.564 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.577 ' N ' HD13 ' A' ' 42' ' ' ILE . 2.9 mm -91.36 142.55 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 112.466 -2.152 . . . . 10.0 112.935 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.37 63.04 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.175 -1.375 . . . . 10.0 109.418 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -66.7 146.95 53.9 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 126.706 2.504 . . . . 10.0 114.254 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 3.3 m-20 -144.25 81.83 1.68 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 110.199 -3.182 . . . . 10.0 110.347 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.12 -115.81 8.17 Favored Glycine 0 N--CA 1.472 1.092 0 O-C-N 128.483 3.614 . . . . 10.0 113.432 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -64.9 -49.22 71.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 111.252 -2.474 . . . . 10.0 112.219 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -84.03 131.0 34.86 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 127.817 3.198 . . . . 10.0 110.295 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.85 115.11 16.76 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 126.912 2.632 . . . . 10.0 111.804 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.11 139.19 19.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.5 HG13 HD12 ' A' ' 42' ' ' ILE . 1.2 mp -117.89 124.97 73.83 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 O-C-N 125.0 1.438 . . . . 10.0 110.237 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -112.85 119.16 37.05 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -105.17 104.81 14.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 107.869 -1.159 . . . . 10.0 107.869 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -103.36 99.15 8.98 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 115.335 1.605 . . . . 10.0 115.335 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.4 p -132.25 165.4 24.23 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 127.838 3.212 . . . . 10.0 107.652 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -94.69 3.62 54.83 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.141 -1.39 . . . . 10.0 112.168 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 79.4 m-85 -99.71 -45.38 5.78 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 109.963 -3.289 . . . . 10.0 112.763 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -168.51 105.07 0.44 Allowed 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 127.202 2.814 . . . . 10.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -72.39 126.68 30.43 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.485 2.991 . . . . 10.0 109.131 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.788 ' C ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -122.87 141.47 51.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 113.38 -1.736 . . . . 10.0 109.883 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.788 HD12 ' C ' ' A' ' 60' ' ' TYR . 3.6 mp -130.21 124.66 58.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 126.358 2.98 . . . . 10.0 108.968 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 37.9 mtt -124.91 149.97 47.03 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 112.522 -2.126 . . . . 10.0 110.589 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -122.45 82.29 1.95 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 124.631 2.158 . . . . 10.0 108.365 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -80.55 118.76 22.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 111.833 -2.439 . . . . 10.0 114.34 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -103.36 135.85 44.21 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 112.608 -2.087 . . . . 10.0 108.658 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.74 117.04 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.027 0 CA-C-N 112.95 -1.932 . . . . 10.0 113.617 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.58 -21.74 44.49 Favored Glycine 0 C--O 1.211 -1.303 0 CA-C-N 113.311 -1.768 . . . . 10.0 111.969 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 141.73 46.57 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 113.612 -1.294 . . . . 10.0 112.856 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 144.1 48.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 111.257 -2.701 . . . . 10.0 112.482 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -155.01 159.25 40.19 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 125.928 2.775 . . . . 10.0 109.082 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 148.75 33.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.196 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -132.49 110.09 10.26 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 110.603 -2.999 . . . . 10.0 108.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -100.31 112.05 24.36 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 126.58 2.425 . . . . 10.0 109.811 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.13 48.37 0.84 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 109.04 -3.709 . . . . 10.0 108.072 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.24 18.77 13.02 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 124.444 2.068 . . . . 10.0 114.476 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.83 24.99 2.27 Favored Glycine 0 C--O 1.217 -0.932 0 CA-C-N 111.726 -2.488 . . . . 10.0 108.922 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.8 -63.43 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 CA-C-O 125.003 2.335 . . . . 10.0 109.473 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.739 ' OD2' HD22 ' A' ' 23' ' ' LEU . 41.6 p-10 -153.89 22.99 0.51 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 109.655 -3.429 . . . . 10.0 114.563 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 39.88 90.7 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 123.878 1.799 . . . . 10.0 114.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.75 -61.69 0.99 Allowed 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt 67.19 103.96 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 124.589 2.138 . . . . 10.0 112.963 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.57 -173.13 3.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.511 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.6 mtp -113.31 149.32 34.11 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.186 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.4 m -146.34 143.0 28.81 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 127.229 2.831 . . . . 10.0 114.139 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.05 142.97 51.16 Favored 'General case' 0 C--O 1.217 -0.629 1 O-C-N 129.199 4.062 . . . . 10.0 108.544 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 64' ' ' PHE . 85.6 t -127.76 135.49 62.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 O-C-N 126.03 2.081 . . . . 10.0 112.299 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 t -137.51 127.87 26.42 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 110.753 -2.931 . . . . 10.0 107.989 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -87.52 18.77 3.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 116.994 -1.479 . . . . 10.0 114.689 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 t70 30.97 44.12 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.764 3.165 . . . . 10.0 114.047 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 40.18 31.69 0.35 Allowed Glycine 0 C--N 1.347 1.184 0 CA-C-N 112.155 -2.293 . . . . 10.0 114.027 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t0 153.38 121.78 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.632 0 O-C-N 128.333 3.02 . . . . 10.0 108.265 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.03 115.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 126.1 2.125 . . . . 10.0 107.88 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 120.91 13.85 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.367 -1.742 . . . . 10.0 111.123 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.31 108.88 13.24 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 125.336 2.493 . . . . 10.0 113.216 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.8 t -102.47 127.86 49.33 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.906 -1.952 . . . . 10.0 113.63 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.55 147.07 33.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 127.092 2.745 . . . . 10.0 109.141 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -116.74 151.01 37.3 Favored 'General case' 0 CA--C 1.495 -1.138 1 O-C-N 129.589 4.305 . . . . 10.0 109.199 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -92.83 -10.16 37.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.205 -1.362 . . . . 10.0 112.816 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' LYS . . . -42.76 110.92 0.3 Allowed Glycine 0 C--O 1.209 -1.44 0 O-C-N 126.992 2.682 . . . . 10.0 109.513 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -56.2 85.28 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 124.95 2.31 . . . . 10.0 113.204 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -156.38 -164.52 1.69 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.636 -2.529 . . . . 10.0 107.91 -179.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -125.86 91.06 3.31 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.693 2.496 . . . . 10.0 110.646 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.06 -45.41 1.0 Allowed Glycine 0 N--CA 1.462 0.429 0 C-N-CA 119.412 -1.375 . . . . 10.0 114.079 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -31.2 94.19 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 127.699 3.619 . . . . 10.0 115.439 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.5 149.38 5.93 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 110.31 -3.132 . . . . 10.0 112.578 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.501 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 2.7 m0 -126.21 145.71 50.27 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 123.903 1.811 . . . . 10.0 114.036 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.1 m -126.6 134.2 50.86 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 111.733 -2.485 . . . . 10.0 109.578 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.505 ' HG2' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.23 132.83 41.93 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 125.336 1.648 . . . . 10.0 115.357 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.41 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 2.0 p90 -138.5 142.59 39.35 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 128.205 3.441 . . . . 10.0 107.887 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.8 mt -113.71 151.5 15.54 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-O 125.564 2.602 . . . . 10.0 114.047 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -136.86 -179.18 5.54 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 108.928 -3.76 . . . . 10.0 108.76 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.67 84.11 0.01 OUTLIER Glycine 0 C--O 1.213 -1.175 0 O-C-N 128.246 3.466 . . . . 10.0 113.521 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.19 74.02 0.45 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 126.417 1.892 . . . . 10.0 109.572 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 173.18 136.64 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 110.717 -2.947 . . . . 10.0 108.406 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.674 HD13 ' CE3' ' A' ' 8' ' ' TRP . 1.7 tt -117.03 100.69 7.92 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 111.48 -2.6 . . . . 10.0 108.282 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 143.81 32.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 113.241 -1.799 . . . . 10.0 109.028 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.68 HD13 ' HG3' ' A' ' 119' ' ' MET . 4.5 pp -150.38 173.27 14.2 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 114.812 -1.085 . . . . 10.0 109.206 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -135.7 92.58 2.84 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 128.159 3.412 . . . . 10.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.68 ' HG3' HD13 ' A' ' 117' ' ' LEU . 32.4 mtt -83.32 140.95 32.15 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 113.939 -1.482 . . . . 10.0 108.442 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -141.77 139.49 32.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 129.006 3.941 . . . . 10.0 110.784 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -171.39 117.37 0.43 Allowed 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.07 -1.877 . . . . 10.0 111.993 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 70.37 23.61 4.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.891 -1.049 . . . . 10.0 113.603 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.8 11.1 55.76 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 113.297 -1.774 . . . . 10.0 114.586 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 22' ' ' ALA . 47.0 t -96.25 162.06 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.129 0 C-N-CA 118.292 -1.363 . . . . 10.0 109.855 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.432 ' N ' ' CG1' ' A' ' 124' ' ' VAL . 1.7 m -141.27 86.74 2.04 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 112.812 -1.994 . . . . 10.0 107.865 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 13.4 t -101.45 104.74 15.69 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 125.901 2.001 . . . . 10.0 113.137 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -104.37 86.07 2.46 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.807 2.567 . . . . 10.0 111.959 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.84 137.71 40.65 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 125.115 2.388 . . . . 10.0 114.047 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 1.008 HG12 HD12 ' A' ' 11' ' ' LEU . 22.5 t -91.76 92.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 109.849 -3.341 . . . . 10.0 115.186 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.85 143.79 26.77 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 128.36 3.538 . . . . 10.0 109.821 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.711 ' HB2' HD11 ' A' ' 11' ' ' LEU . 11.2 tptm -125.18 124.05 40.93 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 124.312 2.006 . . . . 10.0 112.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -68.22 109.8 3.74 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 111.522 -2.581 . . . . 10.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.2 -55.12 18.18 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 CA-C-N 112.613 -2.085 . . . . 10.0 107.881 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.259 1.578 0 O-C-N 128.575 3.672 . . . . 10.0 113.026 179.674 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 C--O 1.214 -0.764 0 CA-C-O 121.369 0.604 . . . . 10.0 111.212 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.36 -33.54 76.2 Favored 'General case' 0 CA--C 1.499 -0.993 0 O-C-N 127.116 2.76 . . . . 10.0 112.839 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.36 104.71 1.0 Allowed 'General case' 0 C--O 1.209 -1.072 0 CA-C-N 112.775 -2.012 . . . . 10.0 111.38 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.7 179.1 48.76 Favored Glycine 0 C--N 1.348 1.226 0 C-N-CA 117.15 -2.452 . . . . 10.0 114.41 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -104.57 104.04 13.8 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 125.373 1.278 . . . . 10.0 109.768 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 11.2 m95 -107.64 108.3 19.49 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 118.681 -1.208 . . . . 10.0 109.46 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -98.04 144.15 27.84 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 126.939 2.649 . . . . 10.0 109.709 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.69 163.56 0.3 Allowed 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 126.206 2.908 . . . . 10.0 112.292 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -138.35 -58.11 0.64 Allowed 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 110.503 -3.044 . . . . 10.0 108.415 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -152.0 -176.93 5.86 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 110.079 -3.237 . . . . 10.0 108.428 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 1.8 p-10 -175.44 93.35 0.06 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.227 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -83.51 149.35 26.67 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 111.887 -2.415 . . . . 10.0 111.844 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 53.0 20.34 1.65 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 111.859 -2.428 . . . . 10.0 114.204 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.526 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 35.1 t80 -74.33 -23.01 58.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.162 1.458 . . . . 10.0 112.553 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.12 -38.73 60.99 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 114.147 -1.388 . . . . 10.0 111.418 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.31 -24.77 62.2 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 113.047 -1.888 . . . . 10.0 113.697 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.67 -31.32 66.67 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 124.453 2.073 . . . . 10.0 111.57 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD11 ' CB ' ' A' ' 33' ' ' ALA . 18.5 mt -71.66 -32.74 68.23 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.588 -2.096 . . . . 10.0 113.034 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -77.25 -24.17 51.19 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 110.698 -2.955 . . . . 10.0 112.711 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.34 66.66 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.927 -1.942 . . . . 10.0 112.781 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD22 ' OD2' ' A' ' 78' ' ' ASP . 8.6 mt -106.94 15.67 25.12 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 112.091 -2.322 . . . . 10.0 111.224 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 42.3 40.34 1.76 Allowed 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 124.893 2.282 . . . . 10.0 113.666 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.629 HG12 ' N ' ' A' ' 26' ' ' ASN . 6.2 t -57.72 -74.74 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-N 111.11 -2.768 . . . . 10.0 112.857 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.629 ' N ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER 172.16 150.52 0.06 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.153 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.786 HG23 ' NH2' ' A' ' 30' ' ' ARG . 10.2 p -68.92 -31.15 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 114.412 1.264 . . . . 10.0 114.412 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.63 -43.26 76.73 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 111.255 -2.702 . . . . 10.0 115.03 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -27.26 64.64 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 125.851 2.739 . . . . 10.0 111.826 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.786 ' NH2' HG23 ' A' ' 27' ' ' VAL . 3.1 tmm_? -72.72 -30.91 64.59 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 111.468 -2.606 . . . . 10.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -79.89 -29.16 39.87 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.44 3.588 . . . . 10.0 109.531 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.469 HG21 ' CE2' ' A' ' 57' ' ' PHE . 5.9 mt -79.72 -28.88 12.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 127.087 2.742 . . . . 10.0 111.456 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.526 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -75.62 -20.96 58.17 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.376 2.036 . . . . 10.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.59 -33.85 69.38 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 111.22 -2.718 . . . . 10.0 113.711 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.41 2.16 48.67 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 110.843 -2.889 . . . . 10.0 113.92 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.8 mt -128.79 143.51 50.93 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 112.946 -1.933 . . . . 10.0 113.574 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -151.52 80.07 6.42 Favored Pre-proline 0 CA--C 1.495 -1.16 0 O-C-N 126.641 2.463 . . . . 10.0 112.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -44.04 148.07 1.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 O-C-N 124.89 1.995 . . . . 10.0 114.463 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -108.99 112.08 24.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.839 -2.437 . . . . 10.0 107.589 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.16 143.66 41.03 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 127.552 3.032 . . . . 10.0 114.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.69 84.67 2.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 124.922 2.296 . . . . 10.0 112.232 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.44 143.52 12.75 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 110.573 -3.012 . . . . 10.0 109.303 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.21 111.4 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-N 109.792 -3.367 . . . . 10.0 113.055 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.7 130.41 34.7 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 123.515 1.626 . . . . 10.0 111.42 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -147.36 67.12 1.13 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 113.012 -1.904 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.44 -116.04 4.13 Favored Glycine 0 C--O 1.209 -1.429 0 CA-C-N 111.781 -2.463 . . . . 10.0 114.332 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.6 29.16 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.604 -2.298 . . . . 10.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -74.39 165.02 25.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.326 1.536 . . . . 10.0 109.437 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 ttp -155.41 84.12 1.05 Allowed 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 111.23 -2.714 . . . . 10.0 109.118 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.7 mt -75.22 133.03 32.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.274 -0.875 . . . . 10.0 112.816 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 mt -114.27 133.95 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 O-C-N 128.735 3.772 . . . . 10.0 110.648 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -117.51 138.61 51.77 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 127.512 3.007 . . . . 10.0 109.424 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -135.69 98.97 4.06 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 109.771 -3.377 . . . . 10.0 108.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.12 108.4 20.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 108.925 -3.761 . . . . 10.0 115.444 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -147.04 107.69 4.12 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 112.822 -1.99 . . . . 10.0 108.794 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -33.24 -35.91 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 O-C-N 127.978 3.298 . . . . 10.0 114.177 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.469 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -66.8 -55.32 15.42 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 112.797 -2.001 . . . . 10.0 113.263 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -157.64 112.53 2.7 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.834 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 171.32 14.33 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 111.867 -2.424 . . . . 10.0 108.882 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -163.27 89.97 0.64 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 112.165 -2.289 . . . . 10.0 113.324 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.9 mp -109.82 128.82 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 123.943 1.83 . . . . 10.0 113.946 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 mmt -149.86 169.43 21.14 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 111.885 -2.416 . . . . 10.0 109.572 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -115.44 135.17 54.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 110.082 -3.235 . . . . 10.0 108.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.12 113.48 17.78 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 114.387 -1.279 . . . . 10.0 114.051 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -83.27 98.26 9.32 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 127.106 2.754 . . . . 10.0 108.239 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 66' ' ' VAL . 24.9 t -61.26 110.69 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.403 -1.726 . . . . 10.0 113.871 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.67 -4.99 21.01 Favored Glycine 0 C--O 1.208 -1.518 0 O-C-N 127.31 2.881 . . . . 10.0 114.442 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.34 166.96 11.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 113.561 -1.32 . . . . 10.0 113.174 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.11 156.17 19.82 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 110.582 -3.008 . . . . 10.0 112.295 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -133.76 -178.95 5.25 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 112.697 -2.047 . . . . 10.0 114.048 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -140.88 61.86 1.49 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 126.626 2.454 . . . . 10.0 109.144 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.98 144.47 14.89 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 110.643 -2.98 . . . . 10.0 113.484 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.9 115.75 12.23 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 111.316 -2.675 . . . . 10.0 109.729 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 74' ' ' LEU . 5.1 mp -120.61 52.02 1.19 Allowed 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 111.581 -2.554 . . . . 10.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -77.75 -4.36 45.94 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 122.871 1.32 . . . . 10.0 113.514 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -103.03 -5.39 47.08 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-N 113.563 -1.653 . . . . 10.0 111.552 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.31 -74.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 CA-C-N 112.956 -1.622 . . . . 10.0 110.299 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.589 ' OD2' HD22 ' A' ' 23' ' ' LEU . 2.7 p-10 -143.77 20.49 1.82 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.252 -0.885 . . . . 10.0 113.015 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 54.5 t0 36.31 76.9 0.05 OUTLIER 'General case' 0 C--O 1.209 -1.078 0 O-C-N 127.053 2.721 . . . . 10.0 113.364 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.3 mtp180 -82.31 -67.26 0.8 Allowed 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 110.416 -3.083 . . . . 10.0 113.109 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt 71.69 85.22 0.13 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 128.558 3.661 . . . . 10.0 111.561 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 93.3 m -131.46 178.44 6.73 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.195 -1.366 . . . . 10.0 112.8 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' LYS . 1.8 mtm -105.88 133.94 49.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.558 -2.11 . . . . 10.0 108.926 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 m -115.91 143.38 45.51 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 124.321 2.01 . . . . 10.0 114.049 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 96' ' ' VAL . 1.9 m -150.49 115.8 5.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 112.534 -2.121 . . . . 10.0 107.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.606 ' CG1' HD11 ' A' ' 93' ' ' LEU . 38.4 t -108.17 145.16 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 O-C-N 127.312 2.883 . . . . 10.0 109.195 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.428 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.4 m -158.83 154.85 26.78 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.262 -2.699 . . . . 10.0 111.127 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -99.61 151.21 21.45 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 112.431 -2.168 . . . . 10.0 111.64 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -101.33 -59.62 1.67 Allowed 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 112.311 -2.222 . . . . 10.0 111.768 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.89 110.26 0.27 Allowed Glycine 0 C--N 1.345 1.029 0 O-C-N 126.799 2.562 . . . . 10.0 111.559 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.96 18.22 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 128.003 2.825 . . . . 10.0 113.367 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 143.04 1.18 Allowed 'General case' 0 C--O 1.209 -1.054 0 CA-C-N 111.183 -2.735 . . . . 10.0 113.13 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.606 HD11 ' CG1' ' A' ' 86' ' ' VAL . 25.9 tp -100.62 120.46 40.09 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 127.09 2.744 . . . . 10.0 111.677 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -109.66 152.06 26.07 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.699 2.499 . . . . 10.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 86' ' ' VAL . 28.5 m -138.98 148.2 43.17 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 114.132 -1.394 . . . . 10.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -140.42 121.09 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 110.33 -3.123 . . . . 10.0 112.288 -179.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -104.75 79.86 1.58 Allowed 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 127.639 3.087 . . . . 10.0 113.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' MET . 1.5 tttt -41.51 94.79 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 125.543 2.592 . . . . 10.0 113.845 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.63 -152.65 8.5 Favored Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 109.522 -3.49 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.47 46.11 1.61 Allowed 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 126.912 2.184 . . . . 10.0 111.54 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -124.71 -89.34 0.58 Allowed 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 111.525 -2.58 . . . . 10.0 114.59 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER 171.53 136.26 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.24 0.34 Allowed Glycine 0 C--O 1.212 -1.256 0 O-C-N 128.25 3.469 . . . . 10.0 110.683 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -83.85 62.11 6.77 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 125.062 2.363 . . . . 10.0 112.991 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.52 158.56 27.73 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 113.558 -1.656 . . . . 10.0 109.688 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -108.6 153.67 23.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 123.523 1.63 . . . . 10.0 115.034 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -135.3 116.47 14.4 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 111.874 -2.421 . . . . 10.0 107.786 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 117' ' ' LEU . 10.0 mp0 -114.99 160.79 19.16 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 123.946 1.831 . . . . 10.0 114.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -157.54 94.74 1.39 Allowed 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 110.023 -3.262 . . . . 10.0 108.918 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.45 147.43 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-N 110.474 -3.057 . . . . 10.0 109.838 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.9 -176.9 3.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 109.866 -3.333 . . . . 10.0 109.686 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.05 -60.62 4.93 Favored Glycine 0 C--O 1.221 -0.662 0 O-C-N 127.045 2.716 . . . . 10.0 112.217 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -138.99 61.07 1.58 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 177.12 146.04 0.1 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.036 -0.983 . . . . 10.0 109.748 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.65 110.38 22.67 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.859 1.349 . . . . 10.0 110.218 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -99.08 103.39 15.3 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 125.641 2.638 . . . . 10.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 118' ' ' GLU . 1.7 tp -116.98 128.19 54.94 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 111.059 -2.791 . . . . 10.0 109.617 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.6 mt-10 -118.91 73.18 0.91 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 124.482 2.087 . . . . 10.0 110.262 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -58.43 158.15 7.86 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 109.606 -3.452 . . . . 10.0 112.33 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 119' ' ' MET . 4.2 mtm180 -144.75 146.42 32.15 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.448 -1.251 . . . . 10.0 108.586 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.78 118.44 2.43 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 123.893 1.806 . . . . 10.0 113.165 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.04 19.93 1.14 Allowed 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 114.372 1.249 . . . . 10.0 114.372 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.82 -14.64 24.23 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 118.982 -0.899 . . . . 10.0 113.59 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.95 146.71 5.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 125.984 1.637 . . . . 10.0 109.076 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 45.1 m -116.91 118.82 33.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.343 1.544 . . . . 10.0 112.97 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.3 132.52 47.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 112.936 -1.938 . . . . 10.0 112.052 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 88.63 2.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 126.241 2.213 . . . . 10.0 113.784 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -78.75 115.82 18.7 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 109.509 -3.496 . . . . 10.0 108.269 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 130' ' ' PHE . 2.8 t -104.42 156.14 5.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 112.287 -2.233 . . . . 10.0 113.705 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.508 ' N ' HG12 ' A' ' 129' ' ' VAL . 4.6 m-85 -144.54 156.66 44.26 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 109.688 -3.415 . . . . 10.0 108.864 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.536 ' HB2' HD23 ' A' ' 11' ' ' LEU . 10.3 tptp -126.73 109.5 12.12 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 127.161 2.788 . . . . 10.0 113.021 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 8' ' ' TRP . 6.6 tttt -55.1 104.62 0.13 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 111.942 -2.39 . . . . 10.0 111.429 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.52 -53.48 39.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 O-C-N 126.64 2.462 . . . . 10.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.985 1 O-C-N 130.763 5.039 . . . . 10.0 108.989 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.505 -0.753 0 CA-C-O 125.204 2.43 . . . . 10.0 113.22 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -78.68 -28.96 45.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 113.2 -1.818 . . . . 10.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -59.88 141.67 54.99 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 111.968 -2.378 . . . . 10.0 111.919 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.18 -145.65 15.43 Favored Glycine 0 C--O 1.209 -1.443 0 CA-C-N 112.563 -2.108 . . . . 10.0 108.933 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.24 140.39 52.57 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 124.722 2.201 . . . . 10.0 109.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.838 ' CD2' HD12 ' A' ' 115' ' ' LEU . 4.1 m95 -142.34 107.44 4.95 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.738 -2.028 . . . . 10.0 114.177 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -100.4 153.25 19.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 112.811 -1.995 . . . . 10.0 107.676 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.444 ' HG3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.94 159.76 0.38 Allowed 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.287 1.617 . . . . 10.0 111.508 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 131' ' ' LYS . 0.8 OUTLIER -138.19 -54.12 0.63 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 109.72 -3.4 . . . . 10.0 112.221 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -178.05 157.98 1.18 Allowed 'General case' 0 C--O 1.221 -0.44 0 O-C-N 128.168 3.417 . . . . 10.0 108.859 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.13 -177.42 4.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 126.443 2.339 . . . . 10.0 108.473 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -170.87 123.64 0.62 Allowed 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 126.403 2.314 . . . . 10.0 108.782 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.07 30.14 3.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 123.074 1.416 . . . . 10.0 108.816 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -71.95 -45.69 60.19 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 114.26 -1.336 . . . . 10.0 113.493 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.72 -25.16 61.12 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.138 -0.937 . . . . 10.0 112.781 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.04 -37.06 64.43 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.609 -2.541 . . . . 10.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.4 t80 -73.92 -27.19 60.91 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 110.714 -2.948 . . . . 10.0 111.112 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -77.3 -29.26 53.62 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 110.834 -2.894 . . . . 10.0 108.904 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -78.61 -22.75 46.54 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 112.836 -1.984 . . . . 10.0 108.91 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -66.9 -27.76 67.76 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.175 -1.829 . . . . 10.0 114.467 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB2' HG23 ' A' ' 25' ' ' VAL . 8.6 mt -99.74 8.95 43.87 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.06 -0.973 . . . . 10.0 111.924 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.45 49.78 6.2 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 127.12 2.762 . . . . 10.0 108.538 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.579 HG12 ' N ' ' A' ' 26' ' ' ASN . 14.2 t -59.69 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 111.251 -2.704 . . . . 10.0 113.45 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.579 ' N ' HG12 ' A' ' 25' ' ' VAL . 3.0 m-20 172.83 155.9 0.1 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 114.817 -1.083 . . . . 10.0 109.023 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -76.25 -30.22 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 122.894 1.33 . . . . 10.0 110.43 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.72 71.02 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 111.88 -2.418 . . . . 10.0 114.406 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -78.22 -21.89 49.33 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 117.398 -1.721 . . . . 10.0 113.728 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -72.47 -29.5 63.72 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 111.144 -2.753 . . . . 10.0 109.954 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -77.61 -42.64 34.29 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 112.572 -2.104 . . . . 10.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.643 HG21 ' CE2' ' A' ' 57' ' ' PHE . 9.2 mt -74.84 -30.84 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-N 113.021 -1.9 . . . . 10.0 112.501 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -62.57 -20.53 64.79 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.385 -2.189 . . . . 10.0 113.679 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -24.99 60.03 Favored 'General case' 0 C--O 1.21 -0.987 0 CA-C-N 111.381 -2.645 . . . . 10.0 112.475 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 mt -100.66 7.77 43.74 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 128.483 3.614 . . . . 10.0 109.618 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -105.22 116.49 32.03 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 114.625 -1.17 . . . . 10.0 111.009 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HB3' ' HG3' ' A' ' 10' ' ' MET . 12.2 mttp -145.92 62.7 8.56 Favored Pre-proline 0 CA--C 1.511 -0.541 0 O-C-N 127.38 2.925 . . . . 10.0 108.486 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 9.4 Cg_endo -61.05 175.18 1.45 Allowed 'Trans proline' 0 CA--C 1.493 -1.527 0 O-C-N 126.495 2.84 . . . . 10.0 114.905 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.75 165.53 14.42 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-N 111.344 -2.662 . . . . 10.0 109.238 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -136.86 149.85 47.93 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 114.765 -1.107 . . . . 10.0 112.169 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.12 91.98 2.61 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 111.57 -2.559 . . . . 10.0 112.32 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 8' ' ' TRP . 4.4 mt -89.73 145.47 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.992 0 CA-C-O 124.566 2.127 . . . . 10.0 108.88 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.1 97.48 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 CA-C-O 125.285 2.469 . . . . 10.0 110.081 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -76.52 120.76 22.18 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.497 -2.138 . . . . 10.0 111.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.66 86.2 1.73 Allowed 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 111.534 -2.575 . . . . 10.0 114.006 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.24 -129.91 9.73 Favored Glycine 0 C--N 1.335 0.498 0 CA-C-N 110.493 -3.048 . . . . 10.0 111.031 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.58 -17.93 55.38 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 113.143 -1.528 . . . . 10.0 111.602 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.36 161.96 18.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.701 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 34.4 ttm -168.46 77.29 0.13 Allowed 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 124.016 1.865 . . . . 10.0 111.074 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -69.48 136.12 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-N 113.593 -1.64 . . . . 10.0 113.238 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.61 123.64 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-N 111.68 -2.509 . . . . 10.0 109.458 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -111.66 113.05 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 113.416 -1.72 . . . . 10.0 112.64 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.9 m -102.69 118.64 37.29 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 122.721 1.248 . . . . 10.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.5 mt -118.57 98.5 6.27 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 113.55 -1.659 . . . . 10.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 49.5 p -112.72 -1.45 14.74 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 115.496 1.665 . . . . 10.0 115.496 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 56' ' ' THR . 19.6 m 54.21 29.6 10.87 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.836 1.779 . . . . 10.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.643 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -140.06 -60.4 0.53 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.653 1.692 . . . . 10.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -147.18 106.06 3.84 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 125.553 2.597 . . . . 10.0 111.986 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -77.75 107.9 10.58 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 112.039 -2.346 . . . . 10.0 113.744 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -96.81 124.85 40.91 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 112.657 -2.065 . . . . 10.0 109.098 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 60' ' ' TYR . 20.0 mm -120.8 112.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 CA-C-N 111.608 -2.542 . . . . 10.0 113.281 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.6 mtp -123.48 101.75 7.51 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 125.435 2.54 . . . . 10.0 110.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -39.43 94.24 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.602 -2.09 . . . . 10.0 109.74 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 62.57 167.58 0.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 O-C-N 127.106 2.754 . . . . 10.0 110.195 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -165.79 85.39 0.35 Allowed 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.769 1.293 . . . . 10.0 109.696 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.5 t -45.66 130.26 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 113.697 -1.592 . . . . 10.0 114.482 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 3.51 86.19 Favored Glycine 0 N--CA 1.473 1.106 0 O-C-N 126.225 2.203 . . . . 10.0 113.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 158.5 31.67 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.559 -0.321 . . . . 10.0 110.402 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -108.44 135.97 48.84 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 129.311 4.132 . . . . 10.0 114.435 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.52 145.33 18.85 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-O 126.577 3.085 . . . . 10.0 113.132 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -75.73 123.58 25.82 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 109.865 -3.334 . . . . 10.0 112.581 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -106.48 132.78 52.09 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 127.091 2.744 . . . . 10.0 110.938 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -108.43 115.6 30.41 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.088 -1.869 . . . . 10.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.76 58.46 1.65 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.949 1.833 . . . . 10.0 111.637 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.39 108.96 20.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 111.451 -2.613 . . . . 10.0 112.172 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.87 -18.86 5.89 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-N 111.643 -2.526 . . . . 10.0 108.414 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 77' ' ' ILE . 3.4 mp -98.18 -79.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 110.766 -2.717 . . . . 10.0 108.816 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.416 ' HA ' HG22 ' A' ' 25' ' ' VAL . 1.2 p30 -109.98 -10.43 14.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 126.895 2.622 . . . . 10.0 114.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.03 72.18 0.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 126.18 2.175 . . . . 10.0 112.949 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.07 139.88 0.29 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 110.779 -2.919 . . . . 10.0 111.464 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.8 174.56 5.83 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 126.752 2.532 . . . . 10.0 109.874 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.5 177.39 2.17 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 111.9 -2.409 . . . . 10.0 109.715 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.4 mtt -104.7 126.08 51.43 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 124.736 2.208 . . . . 10.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.0 m -120.88 142.29 49.81 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 110.513 -3.04 . . . . 10.0 112.731 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -135.67 145.12 46.43 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 127.712 3.132 . . . . 10.0 108.556 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.98 138.22 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 127.988 3.305 . . . . 10.0 108.398 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -129.53 176.67 7.79 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 127.359 2.912 . . . . 10.0 111.623 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.55 91.67 3.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.032 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -98.47 50.8 0.99 Allowed 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 126.946 2.654 . . . . 10.0 114.641 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.36 -131.22 7.58 Favored Glycine 0 C--O 1.221 -0.682 0 CA-C-N 113.13 -1.85 . . . . 10.0 113.042 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.34 -19.98 20.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 127.273 2.396 . . . . 10.0 109.065 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -91.32 177.73 6.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 128.23 3.456 . . . . 10.0 112.915 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.88 96.4 5.05 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 110.967 -2.833 . . . . 10.0 110.238 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -92.15 116.41 28.91 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 109.682 -3.417 . . . . 10.0 114.478 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 m -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.643 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.8 m -112.84 135.6 51.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 O-C-N 125.293 1.621 . . . . 10.0 114.808 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB3' ' HG2' ' A' ' 104' ' ' ARG . 33.9 mt-30 -117.18 93.55 4.22 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 127.221 2.825 . . . . 10.0 108.275 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -39.25 -50.5 1.97 Allowed 'General case' 0 C--O 1.217 -0.642 0 O-C-N 128.794 3.809 . . . . 10.0 112.379 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 31.26 -127.34 0.2 Allowed Glycine 0 C--O 1.217 -0.921 1 O-C-N 129.552 4.283 . . . . 10.0 112.086 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -168.64 36.91 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.445 -2.878 . . . . 10.0 110.132 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HG3' ' NH1' ' A' ' 104' ' ' ARG . 17.6 mmtt -125.33 173.67 8.67 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 84.74 2.51 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 114.153 -1.385 . . . . 10.0 114.675 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.1 -94.43 0.65 Allowed Glycine 0 C--O 1.213 -1.197 0 N-CA-C 108.262 -1.935 . . . . 10.0 108.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.466 ' HG2' ' HB3' ' A' ' 97' ' ' GLN . 3.7 ttm180 48.57 86.27 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 109.906 -3.147 . . . . 10.0 114.734 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.89 134.2 2.17 Favored Glycine 0 C--O 1.213 -1.168 0 CA-C-N 113.438 -1.71 . . . . 10.0 112.742 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -102.3 147.07 27.13 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -140.93 123.91 16.35 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 126.567 2.417 . . . . 10.0 109.576 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.72 146.85 38.02 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.253 2.221 . . . . 10.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.486 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -159.71 149.24 18.19 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.997 -2.82 . . . . 10.0 113.522 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 26.2 mt -106.38 149.1 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.176 0 CA-C-N 111.702 -2.499 . . . . 10.0 110.301 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -110.07 -97.72 0.4 Allowed 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 112.302 -2.226 . . . . 10.0 113.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.42 -82.62 1.68 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 107.84 -2.104 . . . . 10.0 107.84 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -132.04 28.9 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 126.315 1.833 . . . . 10.0 109.168 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -144.95 128.55 17.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 111.288 -2.687 . . . . 10.0 111.581 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.838 HD12 ' CD2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -75.75 135.2 40.32 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.903 1.335 . . . . 10.0 112.087 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -124.54 107.79 11.42 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.834 -1.985 . . . . 10.0 111.409 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 128' ' ' GLN . 13.4 tp -105.38 151.78 23.77 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.57 113.17 15.76 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 112.157 -2.292 . . . . 10.0 111.87 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.7 mtm -112.34 133.6 54.35 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.382 1.563 . . . . 10.0 112.353 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? -140.58 142.81 35.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 110.893 -2.867 . . . . 10.0 112.389 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -175.72 132.34 0.27 Allowed 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 110.84 -2.891 . . . . 10.0 113.924 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 62.8 19.13 11.26 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 127.842 3.214 . . . . 10.0 112.602 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 93.29 -5.98 75.1 Favored Glycine 0 C--N 1.351 1.378 0 O-C-N 120.812 -1.18 . . . . 10.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 22' ' ' ALA . 86.8 t -83.95 135.59 24.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 114.668 -0.766 . . . . 10.0 108.986 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 100.75 9.79 Favored 'General case' 0 CA--C 1.505 -0.766 0 O-C-N 126.378 2.299 . . . . 10.0 113.129 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 133.09 53.43 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 114.001 -1.454 . . . . 10.0 108.978 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.07 117.09 19.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 125.308 2.48 . . . . 10.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.446 ' HB2' HD23 ' A' ' 117' ' ' LEU . 47.0 mt-30 -101.73 152.28 21.04 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.664 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.47 134.04 43.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -134.61 135.03 41.88 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 126.015 2.072 . . . . 10.0 109.302 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.4 tptm -90.3 137.64 32.18 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 125.117 2.389 . . . . 10.0 114.468 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -98.36 128.33 44.72 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 112.917 -1.947 . . . . 10.0 108.101 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.8 t -98.89 -47.72 12.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 113.166 -1.833 . . . . 10.0 108.929 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.26 1.638 0 CA-C-O 115.694 -2.098 . . . . 10.0 114.533 -179.834 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.8 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.85 -0.02 9.12 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 125.75 1.906 . . . . 10.0 114.389 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 39.1 t-20 -70.83 145.06 50.54 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-O 121.703 0.763 . . . . 10.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 5' ' ' ASN . . . 143.85 -125.31 2.46 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 123.71 1.728 . . . . 10.0 110.599 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.8 119.39 2.9 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 113.506 -1.347 . . . . 10.0 112.345 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.508 ' CH2' ' HE2' ' A' ' 132' ' ' LYS . 4.1 m95 -122.47 153.24 39.4 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 124.542 1.151 . . . . 10.0 109.83 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -120.11 -122.85 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 127.537 3.023 . . . . 10.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -169.94 138.98 1.82 Allowed 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.362 -1.335 . . . . 10.0 110.974 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -103.3 -43.94 5.3 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.426 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -178.92 170.53 1.49 Allowed 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 126.079 2.112 . . . . 10.0 112.646 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' N ' ' OG ' ' A' ' 12' ' ' SER . 21.0 m-20 -117.36 -174.35 2.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.222 -1.808 . . . . 10.0 107.993 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.08 -44.15 0.13 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 126.714 2.508 . . . . 10.0 112.792 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -137.94 37.1 2.37 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 125.075 2.369 . . . . 10.0 109.439 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 17.0 t80 -67.8 -44.03 78.29 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 111.632 -2.531 . . . . 10.0 113.201 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -24.31 62.36 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.491 -2.141 . . . . 10.0 112.869 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' OE2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -76.39 -30.46 57.5 Favored 'General case' 0 C--O 1.21 -1.004 0 O-C-N 128.221 3.451 . . . . 10.0 111.738 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.69 -23.12 62.42 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 110.599 -3.0 . . . . 10.0 111.301 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 30' ' ' ARG . 18.5 mt -72.86 -33.12 65.91 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-O 125.14 2.4 . . . . 10.0 110.532 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.91 63.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 112.097 -2.319 . . . . 10.0 113.966 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-O 126.383 2.992 . . . . 10.0 113.332 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.54 1.25 23.22 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.351 -2.659 . . . . 10.0 110.492 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 64.63 50.84 2.04 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 113.469 -1.696 . . . . 10.0 114.735 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.546 HG11 HD22 ' A' ' 29' ' ' LEU . 22.2 t -85.71 146.87 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 112.619 -2.082 . . . . 10.0 108.024 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -51.7 157.52 1.14 Allowed 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 110.659 -2.973 . . . . 10.0 113.583 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.66 -29.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 114.661 -1.154 . . . . 10.0 112.71 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.36 69.6 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 126.548 2.405 . . . . 10.0 114.023 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -76.41 -29.14 56.95 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-O 124.509 2.099 . . . . 10.0 115.07 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.658 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.08 -29.27 54.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 111.612 -2.54 . . . . 10.0 109.621 -179.535 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -72.3 -28.76 63.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.594 2.434 . . . . 10.0 112.395 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.63 -35.12 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 CA-C-N 110.308 -3.133 . . . . 10.0 110.985 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 16' ' ' PHE . . . -63.94 -33.41 75.65 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 112.108 -2.315 . . . . 10.0 114.381 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -21.89 58.66 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.144 -2.298 . . . . 10.0 112.554 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.452 ' O ' HD22 ' A' ' 36' ' ' LEU . 15.3 mt -88.9 -1.93 58.34 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 128.134 3.396 . . . . 10.0 110.137 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 35' ' ' LEU . 2.4 mm? -119.05 126.46 51.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 126.84 2.587 . . . . 10.0 112.162 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -128.5 67.6 76.48 Favored Pre-proline 0 C--O 1.211 -0.964 0 CA-C-N 111.837 -2.438 . . . . 10.0 112.018 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.17 -171.67 0.37 Allowed 'Trans proline' 0 C--O 1.217 -0.57 0 O-C-N 128.619 3.957 . . . . 10.0 112.175 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.98 -176.9 4.4 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.718 -2.037 . . . . 10.0 110.79 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -140.42 157.89 44.84 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-N 112.806 -1.997 . . . . 10.0 113.658 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.71 94.85 2.65 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 125.176 2.417 . . . . 10.0 111.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -94.46 127.39 46.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.558 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -131.36 128.47 61.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 O-C-N 126.816 2.572 . . . . 10.0 114.375 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 149.26 50.49 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 113.038 -1.892 . . . . 10.0 110.078 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -123.85 22.12 8.97 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 112.819 -1.992 . . . . 10.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.89 -93.44 0.32 Allowed Glycine 0 C--N 1.346 1.121 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.726 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.08 -56.62 5.74 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 112.783 -1.708 . . . . 10.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -67.69 162.25 24.12 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.228 -1.805 . . . . 10.0 114.683 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.414 ' O ' HD12 ' A' ' 51' ' ' ILE . 30.6 ttp -155.6 73.39 0.84 Allowed 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.89 2.619 . . . . 10.0 113.823 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.8 mt -56.04 147.0 4.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-O 123.339 1.542 . . . . 10.0 110.115 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 49' ' ' MET . 0.7 OUTLIER -125.33 121.96 61.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-N 110.877 -2.874 . . . . 10.0 110.183 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -122.77 106.67 11.12 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 123.937 1.827 . . . . 10.0 114.502 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 m -94.35 96.32 9.46 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.41 -2.177 . . . . 10.0 108.434 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -91.85 93.23 8.73 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 128.009 3.318 . . . . 10.0 113.77 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.19 141.56 51.84 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 127.386 2.929 . . . . 10.0 107.689 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -78.34 -2.34 37.67 Favored 'General case' 0 CA--C 1.495 -1.153 0 O-C-N 127.016 2.697 . . . . 10.0 114.2 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -54.41 3.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.552 -1.204 . . . . 10.0 107.952 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -144.83 120.16 10.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 111.273 -2.694 . . . . 10.0 111.687 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -82.03 138.99 34.75 Favored 'General case' 0 CA--C 1.505 -0.77 0 O-C-N 124.677 1.236 . . . . 10.0 108.997 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 25.7 t80 -147.11 136.51 22.72 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 124.568 2.128 . . . . 10.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.35 144.06 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 111.273 -2.694 . . . . 10.0 113.558 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.83 152.56 30.82 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 125.673 1.858 . . . . 10.0 111.36 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -114.34 94.16 4.67 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 127.333 2.896 . . . . 10.0 113.17 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -80.76 119.67 23.65 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -107.81 112.2 24.73 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 127.886 3.241 . . . . 10.0 107.609 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG11 ' CE3' ' A' ' 88' ' ' TRP . 22.4 t -65.24 118.03 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.87 0 CA-C-N 113.177 -1.829 . . . . 10.0 114.527 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.21 -29.29 12.83 Favored Glycine 0 CA--C 1.501 -0.801 0 CA-C-N 112.845 -1.98 . . . . 10.0 114.889 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.38 170.03 16.93 Favored 'General case' 0 CA--C 1.497 -1.089 0 O-C-N 125.934 1.608 . . . . 10.0 114.269 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -108.83 115.14 29.52 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 112.652 -2.067 . . . . 10.0 112.652 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.92 161.03 38.56 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 113.325 -1.761 . . . . 10.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -96.34 152.6 18.44 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 124.417 2.056 . . . . 10.0 111.778 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.3 145.83 46.7 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 109.804 -3.362 . . . . 10.0 109.489 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 74' ' ' LEU . 3.1 t0 -121.41 116.92 25.65 Favored 'General case' 0 CA--C 1.504 -0.815 1 O-C-N 129.604 4.315 . . . . 10.0 114.16 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.1 mm? -105.53 47.53 0.87 Allowed 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 122.687 1.232 . . . . 10.0 109.192 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -78.99 124.13 27.96 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 111.811 -2.45 . . . . 10.0 107.127 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.94 30.81 Favored Glycine 0 C--O 1.208 -1.476 0 C-N-CA 118.186 -1.959 . . . . 10.0 108.705 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 78' ' ' ASP . 3.7 mp -105.4 -86.55 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 O-C-N 126.544 1.967 . . . . 10.0 109.091 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 77' ' ' ILE . 12.3 t70 -129.44 4.46 5.14 Favored 'General case' 0 CA--C 1.494 -1.177 0 O-C-N 126.047 2.092 . . . . 10.0 113.752 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 56.07 40.24 30.28 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.905 2.288 . . . . 10.0 107.389 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -50.82 10.77 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 109.243 -3.617 . . . . 10.0 114.3 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? 25.43 105.79 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 128.753 3.783 . . . . 10.0 115.706 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.6 m -139.07 170.91 15.11 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.594 -2.548 . . . . 10.0 113.727 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.02 157.08 19.61 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 110.574 -3.012 . . . . 10.0 108.554 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 m -150.95 136.14 17.61 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.868 1.98 . . . . 10.0 110.634 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.32 106.03 6.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 126.097 2.123 . . . . 10.0 114.133 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.0 t -82.39 131.18 34.38 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 O-C-N 127.34 2.9 . . . . 10.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -128.03 119.72 26.01 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 111.735 -2.484 . . . . 10.0 110.439 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.413 ' CE3' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -89.09 111.35 22.08 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.516 -0.765 . . . . 10.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -6.45 21.55 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 113.936 -1.483 . . . . 10.0 113.621 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.46 129.15 6.47 Favored Glycine 0 N--CA 1.465 0.568 0 C-N-CA 117.815 -2.136 . . . . 10.0 111.751 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 53.26 25.91 4.78 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.723 -2.239 . . . . 10.0 113.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt 173.36 134.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 112.155 -2.293 . . . . 10.0 109.609 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 tp -112.99 117.77 32.98 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.595 -2.548 . . . . 10.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.41 142.27 33.05 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-O 123.044 1.402 . . . . 10.0 111.712 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.1 t -138.19 96.34 3.17 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 110.874 -2.876 . . . . 10.0 111.879 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 97' ' ' GLN . 3.9 t -103.09 148.17 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 126.926 2.641 . . . . 10.0 112.435 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' ' CG1' ' A' ' 96' ' ' VAL . 5.8 mt-30 -115.04 133.52 55.97 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 126.898 2.624 . . . . 10.0 108.836 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -99.46 63.22 1.26 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 127.264 2.853 . . . . 10.0 109.997 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.65 -124.67 3.88 Favored Glycine 0 C--O 1.212 -1.226 0 CA-C-N 112.293 -2.23 . . . . 10.0 113.6 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.73 -48.66 2.02 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 111.198 -2.501 . . . . 10.0 114.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 165.42 0.14 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 127.96 3.287 . . . . 10.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -121.38 124.97 45.83 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 127.561 3.038 . . . . 10.0 114.068 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.93 7.2 59.98 Favored Glycine 0 C--O 1.209 -1.455 0 O-C-N 125.189 1.556 . . . . 10.0 109.804 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.13 164.2 25.89 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.017 -2.091 . . . . 10.0 109.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 106.9 140.69 9.81 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 110.424 -1.07 . . . . 10.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.93 167.03 10.85 Favored 'General case' 0 CA--C 1.494 -1.181 0 O-C-N 126.125 1.721 . . . . 10.0 111.786 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 107' ' ' THR . 0.9 OUTLIER -141.63 112.46 7.25 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.26 -1.791 . . . . 10.0 110.072 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.408 ' HG3' HD13 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -89.94 168.07 12.31 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.501 -2.136 . . . . 10.0 114.344 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.5 140.96 0.12 Allowed 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 126.377 2.298 . . . . 10.0 111.92 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.563 HG12 HD12 ' A' ' 115' ' ' LEU . 72.4 mt -115.63 136.22 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 O-C-N 127.432 2.958 . . . . 10.0 108.546 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.7 12.47 17.13 Favored 'General case' 0 CA--C 1.495 -1.145 0 O-C-N 127.2 2.812 . . . . 10.0 115.182 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.99 -95.26 0.43 Allowed Glycine 0 C--O 1.209 -1.412 0 CA-C-O 123.553 1.641 . . . . 10.0 111.847 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.5 34.69 3.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 113.239 -1.48 . . . . 10.0 110.615 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -163.46 118.52 1.65 Allowed 'General case' 0 C--O 1.21 -0.981 0 O-C-N 127.176 2.798 . . . . 10.0 111.954 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.563 HD12 HG12 ' A' ' 110' ' ' ILE . 0.7 OUTLIER -97.85 98.42 9.81 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-O 125.069 2.366 . . . . 10.0 113.678 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 157.67 26.71 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 110.691 -2.959 . . . . 10.0 112.869 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 108' ' ' GLN . 40.0 tp -149.93 131.47 14.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.547 2.405 . . . . 10.0 108.922 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.54 90.81 3.43 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 125.967 2.042 . . . . 10.0 111.595 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 12.9 mtt -85.68 151.89 23.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.399 -1.728 . . . . 10.0 111.422 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -149.32 152.62 36.17 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 112.625 -2.08 . . . . 10.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -178.54 123.83 0.1 Allowed 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 127.128 2.767 . . . . 10.0 109.627 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.62 40.7 20.23 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-O 125.698 2.666 . . . . 10.0 114.534 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.42 1.81 71.85 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 113.019 -1.9 . . . . 10.0 113.78 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.417 HG13 ' OE2' ' A' ' 18' ' ' GLU . 14.4 t -96.48 107.75 20.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 O-C-N 126.816 2.127 . . . . 10.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.08 148.32 24.53 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 113.399 -1.728 . . . . 10.0 112.871 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.1 t -156.11 133.91 11.12 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 123.029 1.395 . . . . 10.0 113.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -124.27 123.49 40.36 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 124.741 2.21 . . . . 10.0 112.738 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -105.71 167.84 9.5 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 112.146 -2.297 . . . . 10.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.49 HG12 HD23 ' A' ' 11' ' ' LEU . 2.3 t -129.17 129.59 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 125.57 1.794 . . . . 10.0 112.214 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -123.73 156.55 35.8 Favored 'General case' 0 CA--C 1.502 -0.893 0 O-C-N 125.451 1.719 . . . . 10.0 109.744 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.726 ' HB2' HD21 ' A' ' 11' ' ' LEU . 20.3 tptm -133.16 109.74 9.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.508 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 1.2 ttmm -55.68 130.89 45.0 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-O 123.432 1.587 . . . . 10.0 114.183 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.56 -11.14 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 110.804 -2.907 . . . . 10.0 114.019 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.491 ' CE1' ' HD3' ' A' ' 132' ' ' LYS . 2.2 m80 . . . . . 0 C--O 1.249 1.061 0 O-C-N 127.499 2.999 . . . . 10.0 111.559 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 N--CA 1.445 -0.685 0 N-CA-C 115.312 1.597 . . . . 10.0 115.312 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 93' ' ' LEU . 1.5 m-85 -94.47 -37.89 11.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.247 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.99 109.73 0.32 Allowed 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 128.054 3.346 . . . . 10.0 109.808 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.43 39.03 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 126.122 2.139 . . . . 10.0 113.92 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 41' ' ' GLU . 12.3 m-85 -114.49 100.87 8.62 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 124.518 2.104 . . . . 10.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.721 ' CD2' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -102.9 120.85 41.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.152 -2.749 . . . . 10.0 113.361 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.97 154.12 18.32 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 113.434 -1.712 . . . . 10.0 108.488 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.461 ' HE3' ' HB3' ' A' ' 13' ' ' ASN . 2.0 ttp -99.79 141.02 33.16 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 127.207 2.817 . . . . 10.0 108.237 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.94 -53.34 2.66 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.656 -2.975 . . . . 10.0 113.159 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -168.14 126.79 1.2 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 111.678 -2.51 . . . . 10.0 113.41 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 16' ' ' PHE . 7.7 p30 -94.82 171.92 8.48 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.173 -2.285 . . . . 10.0 112.876 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -138.51 134.09 33.48 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 128.304 3.503 . . . . 10.0 109.628 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.58 22.07 6.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 125.781 1.926 . . . . 10.0 109.633 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CG ' ' ND2' ' A' ' 13' ' ' ASN . 10.3 t80 -61.34 -51.17 69.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.43 -1.714 . . . . 10.0 113.091 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.19 -25.55 64.39 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 125.051 2.358 . . . . 10.0 112.989 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -25.97 42.71 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 108.972 -3.74 . . . . 10.0 112.43 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -75.49 -29.03 59.43 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 126.167 2.889 . . . . 10.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -73.76 -44.09 57.12 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 124.895 2.283 . . . . 10.0 112.202 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -62.1 -25.58 67.8 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 112.237 -2.256 . . . . 10.0 113.509 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.47 73.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 112.063 -2.335 . . . . 10.0 115.064 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.19 11.21 39.91 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 113.394 -1.73 . . . . 10.0 112.213 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.57 41.98 24.88 Favored 'General case' 0 CA--C 1.505 -0.768 0 O-C-N 128.485 3.616 . . . . 10.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.432 ' CG2' ' CB ' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -81.34 151.74 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.742 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.564 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -47.73 143.66 3.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 123.765 1.745 . . . . 10.0 112.275 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.91 -31.47 50.7 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-O 125.083 2.373 . . . . 10.0 110.383 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.39 75.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 112.1 -2.318 . . . . 10.0 112.968 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 32' ' ' ILE . 19.3 tp -65.53 -30.54 71.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.621 -1.627 . . . . 10.0 114.342 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.5 OUTLIER -72.58 -30.02 64.03 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.347 -2.661 . . . . 10.0 109.343 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.46 67.54 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 112.46 -2.155 . . . . 10.0 109.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 29' ' ' LEU . 9.5 mt -77.19 -48.96 23.8 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.152 0 O-C-N 125.74 1.9 . . . . 10.0 109.731 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.46 -23.94 52.81 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 124.487 2.089 . . . . 10.0 115.12 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -73.79 -23.42 59.69 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 110.061 -3.245 . . . . 10.0 114.569 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.49 -4.52 48.0 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 112.624 -2.08 . . . . 10.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 57' ' ' PHE . 35.0 mt -107.24 172.47 6.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 112.917 -1.947 . . . . 10.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.25 69.44 0.03 OUTLIER Pre-proline 0 CA--C 1.503 -0.865 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -60.45 168.19 6.91 Favored 'Trans proline' 0 CA--C 1.501 -1.134 0 CA-C-O 126.13 2.471 . . . . 10.0 114.941 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -109.99 149.24 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 110.409 -3.087 . . . . 10.0 107.944 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 138.44 50.85 Favored 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.076 2.11 . . . . 10.0 114.474 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 7' ' ' TYR . 20.0 tt0 -120.63 110.18 16.11 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 124.709 2.195 . . . . 10.0 110.358 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.722 HD12 ' N ' ' A' ' 42' ' ' ILE . 4.7 mp -99.45 146.72 8.15 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-N 110.605 -2.998 . . . . 10.0 112.95 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -146.44 78.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.481 -3.054 . . . . 10.0 110.013 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -55.77 168.35 0.45 Allowed 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 122.785 1.279 . . . . 10.0 113.257 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -149.45 154.38 38.74 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 109.134 -3.666 . . . . 10.0 108.191 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.46 106.27 1.01 Allowed Glycine 0 C--O 1.216 -1.002 0 CA-C-N 111.694 -2.503 . . . . 10.0 113.182 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 86.74 -17.44 0.36 Allowed 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 129.677 3.81 . . . . 10.0 113.739 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -114.36 -166.47 1.11 Allowed 'General case' 0 CA--C 1.5 -0.958 0 O-C-N 125.082 1.489 . . . . 10.0 109.233 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -171.57 133.67 0.8 Allowed 'General case' 0 C--O 1.212 -0.886 0 CA-C-O 123.055 1.407 . . . . 10.0 109.608 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.3 mt -126.03 134.26 66.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 CA-C-N 111.357 -2.656 . . . . 10.0 110.626 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mt -122.12 135.85 60.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 O-C-N 127.766 3.166 . . . . 10.0 110.227 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.2 111.91 19.44 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 113.235 -1.802 . . . . 10.0 108.487 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 54.9 m -101.36 113.9 27.39 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 109.006 -3.725 . . . . 10.0 108.191 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mt -104.45 114.14 28.16 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 127.881 3.238 . . . . 10.0 112.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 130.79 14.6 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 128.867 3.854 . . . . 10.0 108.834 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.79 -24.11 8.22 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 113.471 -1.695 . . . . 10.0 109.982 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 36' ' ' LEU . 34.2 m-85 -91.74 -20.3 21.69 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 124.59 1.181 . . . . 10.0 114.026 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 59' ' ' ASN . 23.3 ttm105 -169.12 149.53 4.24 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 124.974 2.321 . . . . 10.0 113.256 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -123.95 98.7 5.92 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 111.754 -2.475 . . . . 10.0 109.331 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.463 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 10.9 t80 -100.66 114.45 28.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 113.567 -1.651 . . . . 10.0 113.907 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.58 136.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 126.678 2.486 . . . . 10.0 109.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.2 mmm -150.87 154.28 36.92 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.81 -2.904 . . . . 10.0 111.462 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 3.5 p-10 -119.3 94.12 4.32 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 112.978 -1.919 . . . . 10.0 111.794 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -75.52 156.3 35.27 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 112.208 -2.269 . . . . 10.0 112.77 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -129.88 104.48 7.4 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 124.492 2.091 . . . . 10.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.46 123.59 23.45 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 CA-C-N 111.466 -2.606 . . . . 10.0 113.674 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.0 -20.55 43.01 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 111.983 -2.371 . . . . 10.0 112.069 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.26 153.72 30.39 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 123.966 1.841 . . . . 10.0 113.68 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -87.2 141.19 28.83 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 111.559 -2.564 . . . . 10.0 111.822 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -152.29 175.38 12.71 Favored 'General case' 0 CA--C 1.511 -0.519 0 O-C-N 126.63 2.456 . . . . 10.0 112.95 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.75 119.99 26.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.328 -2.214 . . . . 10.0 109.848 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.81 89.8 3.79 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 126.203 2.906 . . . . 10.0 113.758 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.44 107.41 1.36 Allowed 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 109.978 -3.283 . . . . 10.0 112.736 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.495 ' CD1' HD13 ' A' ' 77' ' ' ILE . 7.1 tp -105.93 39.74 1.72 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 124.453 2.073 . . . . 10.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.612 HG23 ' OD2' ' A' ' 79' ' ' ASP . 38.5 m -83.73 1.7 41.42 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.365 -1.743 . . . . 10.0 112.068 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NE ' ' A' ' 58' ' ' ARG . . . -92.41 -9.15 61.98 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 113.607 -1.633 . . . . 10.0 110.608 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.495 HD13 ' CD1' ' A' ' 74' ' ' LEU . 3.7 mp -119.61 -66.55 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 127.288 2.405 . . . . 10.0 110.216 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.432 ' CB ' ' CG2' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -123.43 -38.16 2.58 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.451 1.719 . . . . 10.0 114.959 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 75' ' ' THR . 31.7 t0 85.76 93.92 0.03 OUTLIER 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 124.659 2.171 . . . . 10.0 113.404 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -123.31 -55.27 1.76 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.11 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.93 111.11 0.06 Allowed 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 125.564 1.79 . . . . 10.0 113.3 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 -175.46 4.45 Favored 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 117.667 -1.613 . . . . 10.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.2 mtt -98.45 117.13 32.19 Favored 'General case' 0 CA--C 1.506 -0.75 0 O-C-N 126.815 2.572 . . . . 10.0 108.361 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.9 m -121.2 144.68 48.46 Favored 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 128.943 3.902 . . . . 10.0 114.381 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.6 137.84 48.57 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 110.41 -3.087 . . . . 10.0 108.784 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.13 135.62 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-N 112.561 -2.109 . . . . 10.0 109.87 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 m -126.71 136.65 52.73 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 111.757 -2.474 . . . . 10.0 113.91 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -84.7 81.12 9.01 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 127.682 3.114 . . . . 10.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.76 80.98 4.2 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.544 -3.026 . . . . 10.0 111.976 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.68 -123.05 6.26 Favored Glycine 0 C--O 1.216 -0.982 0 O-C-N 127.622 3.076 . . . . 10.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.88 11.63 31.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.349 -1.926 . . . . 10.0 111.363 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.52 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 21.2 mtmm -128.04 148.03 50.53 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 125.982 2.051 . . . . 10.0 110.348 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' A' ' 4' ' ' PHE . 6.3 tp -93.93 117.06 29.58 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.59 124.6 43.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.103 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.69 161.44 29.69 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.266 2.229 . . . . 10.0 111.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 97' ' ' GLN . 7.4 p -144.92 155.15 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-N 111.906 -2.406 . . . . 10.0 111.782 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' N ' HG22 ' A' ' 96' ' ' VAL . 28.5 mt-30 -131.33 140.51 49.75 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.749 0.656 . . . . 10.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -107.8 69.91 0.75 Allowed 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 128.288 3.492 . . . . 10.0 111.499 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -136.85 70.96 0.48 Allowed Glycine 0 C--N 1.352 1.447 0 CA-C-N 112.702 -2.044 . . . . 10.0 114.509 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 53.47 -169.52 0.05 Allowed 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 124.476 0.751 . . . . 10.0 111.324 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.64 179.15 0.08 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -141.09 120.07 12.75 Favored 'General case' 0 CA--C 1.498 -1.019 0 C-N-CA 118.806 -1.157 . . . . 10.0 111.697 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.2 -3.19 16.38 Favored Glycine 0 C--O 1.211 -1.343 0 CA-C-N 114.395 -1.275 . . . . 10.0 112.065 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.575 ' H ' ' NE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -62.77 131.22 48.13 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 124.733 2.206 . . . . 10.0 108.151 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 148.71 138.31 2.97 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 111.031 -2.804 . . . . 10.0 112.077 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -117.45 159.78 22.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 126.831 2.136 . . . . 10.0 110.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.4 m -149.87 141.73 23.76 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 111.503 -2.589 . . . . 10.0 109.391 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.69 161.21 32.14 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 128.188 3.43 . . . . 10.0 112.51 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.52 ' CE3' ' HD3' ' A' ' 92' ' ' LYS . 16.2 t-105 -168.62 136.28 2.04 Favored 'General case' 0 N--CA 1.468 0.449 1 O-C-N 129.332 4.145 . . . . 10.0 110.238 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.89 136.06 48.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 128.1 3.375 . . . . 10.0 113.223 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.18 -46.94 11.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 112.293 -2.23 . . . . 10.0 112.214 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.47 52.09 0.16 Allowed Glycine 0 C--O 1.213 -1.192 0 O-C-N 127.259 2.849 . . . . 10.0 110.829 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 159.38 -33.38 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 112.191 -2.004 . . . . 10.0 112.7 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.72 137.87 35.5 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 127.832 3.207 . . . . 10.0 110.637 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -95.54 133.13 39.91 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.773 -2.012 . . . . 10.0 111.239 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -121.98 100.55 7.04 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 110.502 -3.044 . . . . 10.0 112.114 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 128' ' ' GLN . 1.3 tp -103.15 146.65 28.08 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 124.632 2.158 . . . . 10.0 109.842 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.06 100.32 5.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.119 -2.31 . . . . 10.0 111.965 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 9.3 mtt -88.1 146.56 25.37 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.718 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -138.7 153.4 48.52 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 114.272 -1.331 . . . . 10.0 112.972 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 175.78 138.55 0.05 Allowed 'General case' 0 C--O 1.209 -1.039 0 O-C-N 123.831 0.707 . . . . 10.0 112.183 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.32 20.35 4.59 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 125.584 1.802 . . . . 10.0 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.88 19.19 58.29 Favored Glycine 0 N--CA 1.473 1.134 0 CA-C-O 123.004 1.335 . . . . 10.0 111.736 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 44.4 t -107.21 143.82 17.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 114.332 -0.934 . . . . 10.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 98.7 m -122.46 103.36 8.66 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 124.828 1.33 . . . . 10.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -114.68 121.31 42.98 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 125.778 1.924 . . . . 10.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -109.83 141.5 42.42 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 126.91 2.631 . . . . 10.0 109.587 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.496 ' HB2' HD23 ' A' ' 117' ' ' LEU . 17.5 mt-30 -121.56 114.56 21.38 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 111.853 -2.431 . . . . 10.0 111.29 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.78 125.47 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 127.224 2.827 . . . . 10.0 113.234 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.483 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 39.7 m-85 -113.93 165.07 12.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 114.998 -1.001 . . . . 10.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -144.1 95.86 2.79 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.939 -1.482 . . . . 10.0 114.096 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -49.8 126.21 13.45 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.031 -1.895 . . . . 10.0 113.473 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.4 t -103.01 -15.81 7.79 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 O-C-N 124.868 1.355 . . . . 10.0 113.494 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 C--O 1.257 1.468 0 O-C-N 125.307 1.629 . . . . 10.0 112.946 -179.821 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--O 1.207 -1.133 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -78.32 -8.1 58.02 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 127.302 2.876 . . . . 10.0 113.993 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -66.54 129.65 40.56 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 118.669 -1.212 . . . . 10.0 112.526 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.82 -173.27 22.69 Favored Glycine 0 C--O 1.21 -1.362 0 O-C-N 126.735 2.522 . . . . 10.0 108.785 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 41' ' ' GLU . 3.3 m-85 -103.41 149.75 24.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 128.599 3.176 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.71 ' CE3' HD12 ' A' ' 115' ' ' LEU . 1.7 m95 -148.88 115.1 5.81 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 126.553 2.408 . . . . 10.0 111.571 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -97.33 161.55 13.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 127.338 2.899 . . . . 10.0 108.367 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.436 ' HE3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.87 127.9 44.92 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.772 3.17 . . . . 10.0 109.781 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 11' ' ' LEU . 1.1 mm? -85.69 -67.75 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 O-C-N 125.646 1.841 . . . . 10.0 111.299 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 p -147.37 172.35 14.04 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.954 -2.839 . . . . 10.0 111.22 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -123.54 -176.48 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 125.156 1.535 . . . . 10.0 109.984 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.28 -45.74 0.63 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 113.907 1.077 . . . . 10.0 113.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.75 39.41 1.14 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 126.246 2.927 . . . . 10.0 113.012 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.624 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 27.2 t80 -69.07 -29.73 67.9 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 112.119 -2.309 . . . . 10.0 113.294 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.88 -38.76 64.3 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.012 -1.449 . . . . 10.0 114.166 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.35 -26.84 62.99 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.686 -1.143 . . . . 10.0 111.97 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.581 ' HA ' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -70.82 -36.59 73.0 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 127.611 3.069 . . . . 10.0 112.293 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 20' ' ' LEU . 24.6 mt -67.9 -23.49 65.11 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 110.773 -2.921 . . . . 10.0 114.953 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -71.86 -26.87 62.53 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.033 -1.439 . . . . 10.0 112.729 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.15 92.87 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 127.46 2.975 . . . . 10.0 115.017 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.29 1.57 57.01 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 126.766 2.541 . . . . 10.0 112.507 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.01 48.45 10.78 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.983 -2.372 . . . . 10.0 112.566 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.77 129.75 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 113.159 -1.837 . . . . 10.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 1.7 m120 -49.59 158.0 0.49 Allowed 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 122.338 1.066 . . . . 10.0 112.6 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.62 -23.36 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 113.084 -1.871 . . . . 10.0 112.852 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.28 72.95 Favored 'General case' 0 CA--C 1.499 -0.997 0 O-C-N 126.224 2.202 . . . . 10.0 112.394 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -30.63 61.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.852 -1.522 . . . . 10.0 111.812 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -77.78 -24.53 48.89 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 125.317 2.484 . . . . 10.0 114.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -36.48 63.16 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 110.502 -3.045 . . . . 10.0 108.535 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -42.33 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.875 0 CA-C-N 109.031 -3.713 . . . . 10.0 111.445 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.624 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -59.6 -35.72 74.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 113.697 -1.592 . . . . 10.0 115.222 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -22.87 64.83 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 122.525 1.155 . . . . 10.0 114.095 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -112.43 20.44 16.67 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 123.562 1.649 . . . . 10.0 113.351 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -75.76 0.47 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.509 -2.132 . . . . 10.0 113.234 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 49.07 72.29 1.31 Allowed Pre-proline 0 C--O 1.208 -1.125 0 CA-C-O 125.578 2.609 . . . . 10.0 108.0 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' HE3' ' A' ' 10' ' ' MET . 11.8 Cg_exo -61.55 152.37 73.85 Favored 'Trans proline' 0 CA--C 1.499 -1.251 0 CA-C-N 111.508 -1.997 . . . . 10.0 114.849 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -107.78 88.21 2.68 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 127.606 3.066 . . . . 10.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.11 155.33 24.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -139.39 110.21 6.76 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.872 -2.877 . . . . 10.0 107.792 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.3 mt -108.8 134.79 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 O-C-N 128.45 3.594 . . . . 10.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.75 102.81 3.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 111.64 -2.527 . . . . 10.0 112.834 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.39 145.29 32.08 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.98 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -158.87 90.36 0.99 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.133 -2.303 . . . . 10.0 114.284 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.66 -109.81 2.89 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 110.568 -3.014 . . . . 10.0 111.446 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.61 0.01 41.25 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 119.647 -0.821 . . . . 10.0 109.861 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -98.29 157.83 15.94 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.758 1.911 . . . . 10.0 110.705 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -150.89 79.92 1.32 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-O 123.687 1.708 . . . . 10.0 108.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.8 mt -70.21 140.22 18.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-O 124.441 2.067 . . . . 10.0 111.065 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 51' ' ' ILE . 1.9 mt -134.84 122.21 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 112.703 -2.044 . . . . 10.0 111.563 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -108.64 172.93 6.56 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 123.827 1.775 . . . . 10.0 109.917 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 60' ' ' TYR . 11.4 m -153.82 105.16 2.75 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.616 -2.993 . . . . 10.0 110.991 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 mt -107.04 126.35 52.22 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 110.924 -2.853 . . . . 10.0 111.781 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -139.75 -46.68 0.45 Allowed 'General case' 0 C--O 1.208 -1.107 0 O-C-N 127.78 3.175 . . . . 10.0 112.825 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 55' ' ' SER . 5.4 t 117.34 -7.75 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.746 1 O-C-N 130.726 5.016 . . . . 10.0 109.966 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -96.74 -58.18 2.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 110.965 -2.834 . . . . 10.0 108.341 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.99 130.91 42.04 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 108.913 -3.767 . . . . 10.0 110.772 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -103.04 95.33 6.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.39 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.462 ' CB ' ' HB ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -97.33 138.8 34.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 112.842 -1.981 . . . . 10.0 112.817 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.3 mp -142.48 126.07 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 CA-C-N 109.735 -3.393 . . . . 10.0 109.53 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -143.55 104.69 4.25 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 127.586 3.054 . . . . 10.0 113.197 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 77.48 1.64 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.173 -1.83 . . . . 10.0 108.213 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.713 ' CE1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.36 114.73 9.74 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 112.031 -2.35 . . . . 10.0 112.517 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.39 135.01 42.49 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 126.079 2.112 . . . . 10.0 111.997 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.4 130.94 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 124.471 1.107 . . . . 10.0 112.436 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.19 87.08 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-O 124.537 2.187 . . . . 10.0 114.357 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.14 138.96 54.36 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.238 -1.981 . . . . 10.0 113.398 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -106.61 145.98 31.26 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 125.811 1.944 . . . . 10.0 113.335 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -154.32 177.93 10.59 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 111.817 -2.447 . . . . 10.0 109.17 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -83.53 145.7 28.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 124.33 2.014 . . . . 10.0 108.513 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -123.37 80.35 1.77 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 109.699 -3.409 . . . . 10.0 109.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.69 94.22 0.12 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.081 -3.236 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 74' ' ' LEU . 3.5 tp -111.75 46.64 1.11 Allowed 'General case' 0 C--O 1.208 -1.117 0 O-C-N 127.86 3.225 . . . . 10.0 107.873 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 11.3 t -95.85 17.53 15.03 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 109.499 -3.5 . . . . 10.0 113.943 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 77' ' ' ILE . . . -124.91 0.25 8.37 Favored Glycine 0 C--O 1.222 -0.634 0 CA-C-N 112.64 -2.073 . . . . 10.0 112.914 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 77' ' ' ILE . 2.3 mp -108.09 -60.65 2.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-O 125.285 2.469 . . . . 10.0 106.977 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 23.4 p-10 -125.16 4.05 7.87 Favored 'General case' 0 C--O 1.213 -0.852 1 CA-C-N 108.399 -4.001 . . . . 10.0 112.724 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 3.7 m-20 71.45 38.96 0.96 Allowed 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 126.223 2.202 . . . . 10.0 114.891 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.08 -172.15 2.62 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 121.938 0.875 . . . . 10.0 112.807 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.25 153.46 25.64 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.643 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.39 162.38 3.54 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.242 2.214 . . . . 10.0 113.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.8 mtt -88.61 126.99 35.55 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 111.867 -2.424 . . . . 10.0 112.299 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 m -121.9 146.55 47.01 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 125.427 1.704 . . . . 10.0 113.868 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.2 173.14 11.8 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 111.569 -2.559 . . . . 10.0 109.543 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.713 HG23 ' CE1' ' A' ' 64' ' ' PHE . 15.9 t -142.87 129.78 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 125.24 2.448 . . . . 10.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.8 p -135.01 101.48 4.9 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 111.36 -2.655 . . . . 10.0 113.865 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -74.08 149.64 41.0 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 124.359 2.028 . . . . 10.0 111.664 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -102.54 -54.76 2.59 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 113.657 -1.61 . . . . 10.0 109.304 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.46 98.24 0.25 Allowed Glycine 0 C--O 1.211 -1.289 0 CA-C-O 118.049 -1.417 . . . . 10.0 110.966 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 t70 106.5 -11.9 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.75 1 O-C-N 130.469 4.276 . . . . 10.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -132.68 -179.69 5.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 126.818 2.574 . . . . 10.0 108.947 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 tp -147.7 126.72 12.82 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 127.241 2.838 . . . . 10.0 113.282 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -119.47 140.63 50.15 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.578 -1.646 . . . . 10.0 113.363 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.3 t -136.09 98.56 3.9 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 124.904 1.377 . . . . 10.0 109.728 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -96.16 146.45 7.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 1 O-C-N 129.4 4.188 . . . . 10.0 114.003 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.87 124.95 47.31 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 110.387 -3.097 . . . . 10.0 108.935 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -58.87 -53.14 61.71 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 126.331 2.269 . . . . 10.0 110.591 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 38.42 -153.93 0.02 OUTLIER Glycine 0 C--N 1.348 1.222 0 O-C-N 126.902 2.626 . . . . 10.0 114.421 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . 0.255 38.4 mm-40 -135.3 21.87 3.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 111.26 -2.47 . . . . 10.0 108.938 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.43 -165.24 0.98 Allowed 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 126.309 2.256 . . . . 10.0 111.763 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.87 109.54 7.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 112.358 -2.201 . . . . 10.0 111.766 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.62 -18.88 22.18 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 110.743 -2.935 . . . . 10.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.47 148.66 6.61 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.682 2.048 . . . . 10.0 109.721 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.57 112.34 3.17 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-N 109.621 -3.445 . . . . 10.0 107.476 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.472 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -88.06 138.38 31.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 123.386 1.565 . . . . 10.0 115.062 -179.366 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.27 144.48 31.29 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 109.704 -3.407 . . . . 10.0 107.111 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.41 ' NE2' HD22 ' A' ' 115' ' ' LEU . 7.7 tt0 -149.18 165.8 30.75 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 126.943 3.259 . . . . 10.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -163.29 157.23 19.96 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 110.217 -3.174 . . . . 10.0 110.487 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -115.73 148.2 18.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 CA-C-N 114.187 -1.37 . . . . 10.0 114.55 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.63 -137.48 0.33 Allowed 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 113.324 -1.762 . . . . 10.0 110.223 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.12 -102.12 0.01 OUTLIER Glycine 0 C--O 1.21 -1.347 0 CA-C-O 126.187 3.104 . . . . 10.0 113.668 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -112.73 34.47 4.37 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.351 -1.924 . . . . 10.0 113.351 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.83 165.76 26.63 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 112.291 -2.231 . . . . 10.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.71 HD12 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -125.62 134.56 51.85 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 125.937 2.023 . . . . 10.0 109.488 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -138.56 132.64 31.42 Favored 'General case' 0 CA--C 1.503 -0.862 0 O-C-N 125.93 2.019 . . . . 10.0 111.927 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -137.67 155.97 48.55 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 126.367 2.292 . . . . 10.0 109.797 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -114.48 88.98 2.98 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 111.36 -2.654 . . . . 10.0 109.44 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -72.83 129.06 37.32 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.473 -2.603 . . . . 10.0 111.988 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -131.66 158.1 41.99 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 126.14 2.15 . . . . 10.0 111.497 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' VAL . . . -179.34 130.92 0.11 Allowed 'General case' 0 N--CA 1.471 0.581 0 O-C-N 127.378 2.924 . . . . 10.0 113.053 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 46.82 39.27 7.06 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 126.803 2.564 . . . . 10.0 113.861 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.74 11.11 85.75 Favored Glycine 0 C--N 1.348 1.21 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.805 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' ' 19' ' ' TYR . 8.0 t -98.55 153.02 4.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-O 121.119 0.485 . . . . 10.0 110.542 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.8 m -133.73 121.7 22.3 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 114.525 -1.216 . . . . 10.0 113.349 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -133.05 124.21 27.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -105.29 105.06 14.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 125.032 2.349 . . . . 10.0 115.191 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.573 ' HG3' HD21 ' A' ' 117' ' ' LEU . 3.3 mt-30 -88.3 142.3 27.85 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 112.103 -2.317 . . . . 10.0 108.451 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.2 t -125.05 102.37 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 126.691 2.494 . . . . 10.0 112.09 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 1.9 m-30 -88.47 170.97 10.44 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 126.078 2.111 . . . . 10.0 108.4 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -148.79 134.72 19.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 113.272 -1.785 . . . . 10.0 110.28 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.536 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 2.4 tppp? -73.93 136.52 43.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 112.525 -2.125 . . . . 10.0 112.499 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.52 -37.27 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-N 111.604 -2.544 . . . . 10.0 113.252 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 115.361 -2.257 . . . . 10.0 109.222 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.508 -0.643 0 CA-C-O 121.077 0.465 . . . . 10.0 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 42' ' ' ILE . 52.0 m-85 -80.91 -36.22 31.41 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 126.887 2.617 . . . . 10.0 113.2 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.12 144.27 7.21 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 124.987 2.327 . . . . 10.0 113.278 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.63 -159.49 21.52 Favored Glycine 0 CA--C 1.505 -0.554 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.769 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -115.54 122.25 45.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 125.696 1.469 . . . . 10.0 113.038 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 4.1 m95 -125.8 120.71 31.27 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 114.208 1.188 . . . . 10.0 114.208 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -102.78 -174.81 2.64 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 128.156 3.41 . . . . 10.0 108.472 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.44 -177.19 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.793 1.308 . . . . 10.0 110.94 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 mt -152.69 -53.21 0.11 Allowed 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 125.038 2.351 . . . . 10.0 114.684 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -144.48 158.53 43.71 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 111.462 -2.608 . . . . 10.0 113.734 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 1.1 m120 -133.68 157.83 44.79 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 124.733 2.206 . . . . 10.0 110.472 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -157.22 120.6 4.1 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 111.421 -2.627 . . . . 10.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 79.98 3.64 2.0 Allowed 'General case' 0 C--O 1.211 -0.959 0 O-C-N 127.53 3.019 . . . . 10.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -66.15 -29.27 69.54 Favored 'General case' 0 C--O 1.208 -1.11 0 O-C-N 123.861 0.726 . . . . 10.0 112.86 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -78.35 -42.04 31.72 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 125.846 2.736 . . . . 10.0 108.909 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -70.44 -28.4 65.01 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 109.39 -3.55 . . . . 10.0 114.055 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.484 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.8 t80 -75.02 -24.34 58.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.633 -2.076 . . . . 10.0 111.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.6 mt -72.15 -27.99 62.96 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 125.817 2.722 . . . . 10.0 112.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -71.52 -24.97 62.06 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 111.46 -2.609 . . . . 10.0 109.921 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 19' ' ' TYR . . . -69.3 -38.4 78.26 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 128.358 3.536 . . . . 10.0 110.507 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -103.52 21.91 15.22 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 45.37 71.79 0.25 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 128.882 3.864 . . . . 10.0 112.876 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.0 143.79 13.76 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.075 0 CA-C-N 112.908 -1.951 . . . . 10.0 108.209 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -53.32 159.63 1.33 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 125.367 2.508 . . . . 10.0 111.801 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 t -73.66 -39.53 53.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 110.509 -3.041 . . . . 10.0 113.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -72.82 -30.16 63.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 113.615 -1.63 . . . . 10.0 112.661 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.16 -28.21 57.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.522 1.153 . . . . 10.0 111.998 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.82 -29.43 50.64 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 113.028 -1.897 . . . . 10.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.61 -39.12 70.67 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 112.994 -1.912 . . . . 10.0 110.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 28' ' ' ALA . 21.2 mt -77.64 -25.23 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 110.491 -3.049 . . . . 10.0 112.466 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.36 67.59 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.179 -1.373 . . . . 10.0 112.982 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -77.42 -27.49 52.28 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.547 -1.66 . . . . 10.0 111.793 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mt -104.02 42.65 1.16 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.233 0.613 . . . . 10.0 111.771 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.665 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -131.53 -72.16 0.55 Allowed 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 126.473 2.358 . . . . 10.0 111.758 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt 51.9 70.86 1.69 Allowed Pre-proline 0 C--O 1.208 -1.11 0 CA-C-N 114.068 -1.423 . . . . 10.0 112.382 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 22.9 Cg_endo -68.44 171.43 12.97 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 O-C-N 124.885 1.992 . . . . 10.0 113.629 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -119.44 134.46 55.21 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 110.088 -3.233 . . . . 10.0 108.853 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -98.63 141.24 31.7 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 127.32 2.887 . . . . 10.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.44 105.93 8.65 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 127.423 2.952 . . . . 10.0 108.069 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 4' ' ' PHE . 5.4 mt -100.6 144.44 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 C-N-CA 116.667 -2.013 . . . . 10.0 109.535 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.7 103.26 2.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.594 -1.639 . . . . 10.0 109.178 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -77.07 135.97 38.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 126.301 2.251 . . . . 10.0 109.428 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.11 49.21 1.95 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 124.922 2.296 . . . . 10.0 109.662 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.02 -91.71 0.53 Allowed Glycine 0 C--O 1.21 -1.351 0 CA-C-N 110.474 -3.057 . . . . 10.0 111.54 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.27 -54.82 11.1 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 123.055 1.407 . . . . 10.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -74.85 156.73 36.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.578 -2.101 . . . . 10.0 112.538 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.03 78.59 1.35 Allowed 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.703 -2.953 . . . . 10.0 109.054 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 62' ' ' MET . 3.6 mt -78.86 128.48 38.44 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 111.761 -2.472 . . . . 10.0 112.873 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.586 HD13 ' CE ' ' A' ' 62' ' ' MET . 4.0 mp -114.21 138.05 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 110.358 -3.11 . . . . 10.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -120.67 101.46 7.75 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 109.983 -3.28 . . . . 10.0 113.497 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 m -89.07 86.47 6.91 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 114.381 -1.281 . . . . 10.0 109.274 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -79.34 96.01 5.87 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 125.812 1.945 . . . . 10.0 114.224 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -132.88 122.41 24.33 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.677 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.78 1.07 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 126.493 3.044 . . . . 10.0 114.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.665 ' HB2' HD21 ' A' ' 36' ' ' LEU . 5.6 t80 -82.25 -57.44 3.38 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 110.557 -3.02 . . . . 10.0 110.265 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.96 127.87 29.43 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 124.849 2.261 . . . . 10.0 113.512 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -99.01 86.1 3.39 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.458 -1.701 . . . . 10.0 111.689 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.95 130.25 36.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 126.898 2.624 . . . . 10.0 113.527 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' MET . 5.7 mt -136.85 152.59 28.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 126.177 2.173 . . . . 10.0 112.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.586 ' CE ' HD13 ' A' ' 51' ' ' ILE . 5.6 mtm -144.72 177.78 8.45 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 111.997 -2.365 . . . . 10.0 109.477 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -140.07 46.9 1.83 Allowed 'General case' 0 CA--C 1.502 -0.892 0 O-C-N 127.692 3.12 . . . . 10.0 109.144 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 70' ' ' PHE . 1.3 m-85 -45.7 105.81 0.07 Allowed 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 113.56 -1.655 . . . . 10.0 114.05 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 10.6 mt-30 -88.72 120.41 30.09 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 125.964 2.04 . . . . 10.0 108.372 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.92 110.44 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 114.653 1.353 . . . . 10.0 114.653 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.43 -15.05 57.79 Favored Glycine 0 C--O 1.214 -1.118 0 O-C-N 127.614 3.071 . . . . 10.0 111.793 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 5.3 tptt -98.28 150.45 21.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.368 -2.416 . . . . 10.0 111.757 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -98.54 119.64 37.6 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 111.406 -2.633 . . . . 10.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.497 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 18.0 p90 -136.97 153.59 50.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 123.957 0.903 . . . . 10.0 112.303 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -76.47 115.79 16.56 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 127.14 2.775 . . . . 10.0 112.553 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -105.35 117.94 35.3 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 126.004 2.065 . . . . 10.0 112.823 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.52 106.87 18.78 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 125.609 2.623 . . . . 10.0 110.934 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.3 mt -96.33 58.54 1.79 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 125.203 2.43 . . . . 10.0 108.83 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 t -101.88 141.28 34.97 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 110.809 -2.905 . . . . 10.0 107.238 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.81 -0.64 70.2 Favored Glycine 0 C--O 1.218 -0.901 0 N-CA-C 108.725 -1.75 . . . . 10.0 108.725 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -64.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 O-C-N 127.769 2.688 . . . . 10.0 107.561 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.96 11.66 1.6 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 109.773 -3.376 . . . . 10.0 114.017 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 t70 55.74 72.99 0.45 Allowed 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.08 147.57 5.59 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.295 -0.86 . . . . 10.0 109.445 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -129.13 143.0 50.71 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 126.309 2.256 . . . . 10.0 108.552 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.96 -178.56 7.39 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 114.94 -1.027 . . . . 10.0 109.203 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.1 mtt -98.18 126.97 43.87 Favored 'General case' 0 C--O 1.208 -1.125 0 O-C-N 125.496 1.748 . . . . 10.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 8.9 m -119.72 140.5 50.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 112.7 -2.045 . . . . 10.0 114.615 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 m -136.61 134.25 37.17 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.816 -1.993 . . . . 10.0 112.926 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.2 t -97.77 148.67 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 113.051 -1.886 . . . . 10.0 108.389 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.4 t -114.13 -44.37 3.14 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 125.072 1.483 . . . . 10.0 112.727 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 93' ' ' LEU . 8.4 t90 70.93 94.03 0.08 Allowed 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.487 2.367 . . . . 10.0 112.049 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.83 107.36 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 113.331 -1.759 . . . . 10.0 107.84 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -40.77 94.16 0.01 OUTLIER Glycine 0 C--O 1.213 -1.21 0 O-C-N 129.023 3.952 . . . . 10.0 113.612 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 136.2 -47.57 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.111 4.065 . . . . 10.0 111.542 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -136.9 107.36 6.48 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 111.595 -2.548 . . . . 10.0 112.555 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 88' ' ' TRP . 7.0 tt -54.02 139.35 34.83 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.848 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HG3' HG23 ' A' ' 107' ' ' THR . 7.6 mt-30 -134.69 136.39 42.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.346 -1.297 . . . . 10.0 113.757 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 59.4 m -120.13 113.45 20.48 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 126.45 2.344 . . . . 10.0 109.47 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.35 135.53 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 O-C-N 126.976 2.672 . . . . 10.0 113.721 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.413 ' NE2' ' CZ2' ' A' ' 106' ' ' TRP . 10.8 mt-30 -120.23 137.89 53.96 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 113.736 -1.575 . . . . 10.0 107.839 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -48.09 51.65 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 110.35 -3.114 . . . . 10.0 113.47 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 26.83 -121.87 0.05 OUTLIER Glycine 0 C--O 1.219 -0.835 0 O-C-N 128.245 3.466 . . . . 10.0 113.71 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -167.02 37.09 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.897 0 O-C-N 126.751 2.089 . . . . 10.0 112.206 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HB3' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -119.38 -173.75 2.58 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 111.793 -2.458 . . . . 10.0 113.837 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -74.8 -71.55 0.34 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 112.233 -2.258 . . . . 10.0 116.08 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -104.71 -6.42 40.68 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-O 117.038 -1.979 . . . . 10.0 115.019 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -10.83 71.97 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.055 3.312 . . . . 10.0 115.501 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 103' ' ' GLY . . . -175.09 158.83 26.78 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 110.938 -2.846 . . . . 10.0 111.537 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.413 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 1.3 m0 -124.12 152.23 43.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.727 -1.237 . . . . 10.0 113.619 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 94' ' ' GLN . 90.7 m -134.81 143.34 47.01 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.961 3.288 . . . . 10.0 110.667 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -119.72 142.18 48.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 124.035 1.874 . . . . 10.0 110.693 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -147.05 123.93 11.29 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 110.996 -2.82 . . . . 10.0 110.266 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.49 135.23 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 124.073 1.892 . . . . 10.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -125.76 70.17 1.2 Allowed 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 124.079 1.895 . . . . 10.0 111.275 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.32 -97.71 1.58 Allowed Glycine 0 C--O 1.216 -0.984 0 CA-C-N 113.558 -1.656 . . . . 10.0 113.01 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.58 24.97 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.444 0.732 . . . . 10.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.9 142.14 28.47 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 123.63 1.681 . . . . 10.0 112.415 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.73 123.59 35.24 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 109.391 -3.55 . . . . 10.0 113.404 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.35 103.89 13.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 112.061 -2.336 . . . . 10.0 109.938 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.5 tp -102.95 137.06 41.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 123.754 1.74 . . . . 10.0 113.571 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.34 103.7 7.79 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.822 -1.99 . . . . 10.0 111.01 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 7.5 mtm -105.13 154.71 19.81 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 113.371 -1.74 . . . . 10.0 111.47 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -150.13 145.8 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.617 -2.538 . . . . 10.0 113.128 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.8 117.99 0.19 Allowed 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 111.984 -2.371 . . . . 10.0 114.314 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.82 30.27 6.35 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.94 -2.391 . . . . 10.0 114.464 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.38 -6.21 77.99 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-N 113.034 -1.894 . . . . 10.0 112.127 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.7 t -84.88 152.45 3.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 N-CA-C 108.463 -0.94 . . . . 10.0 108.463 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.2 m -126.77 106.62 9.48 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 128.438 3.586 . . . . 10.0 108.953 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.1 t -106.08 133.88 50.09 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.884 -1.053 . . . . 10.0 108.652 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -131.19 111.79 12.25 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 126.827 2.579 . . . . 10.0 109.172 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -103.47 133.02 49.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.088 2.118 . . . . 10.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.88 79.8 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 C-N-CA 117.475 -1.69 . . . . 10.0 115.398 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -82.82 148.12 27.96 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 126.451 2.345 . . . . 10.0 108.338 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -126.66 142.91 51.39 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 127.418 2.949 . . . . 10.0 114.17 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.65 148.46 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 110.285 -3.143 . . . . 10.0 109.109 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.61 -61.1 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 CA-C-N 115.11 -0.95 . . . . 10.0 111.914 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.348 0 CA-C-O 113.701 -3.047 . . . . 10.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.495 -1.164 0 CA-C-O 121.136 0.493 . . . . 10.0 109.892 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.606 ' CE1' HD11 ' A' ' 110' ' ' ILE . 66.9 m-85 -106.98 24.63 12.48 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 113.457 0.91 . . . . 10.0 113.457 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -96.31 137.09 35.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.081 1.42 . . . . 10.0 108.704 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.83 -131.39 5.59 Favored Glycine 0 C--O 1.216 -0.969 0 CA-C-O 126.251 3.139 . . . . 10.0 109.687 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -143.58 150.71 39.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.504 -2.348 . . . . 10.0 112.762 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.5 m95 -145.73 156.02 43.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 113.935 -1.484 . . . . 10.0 107.83 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -143.17 -179.75 6.58 Favored 'General case' 0 C--O 1.217 -0.618 1 O-C-N 130.34 4.775 . . . . 10.0 108.35 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.11 160.23 19.32 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 124.682 2.182 . . . . 10.0 113.192 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -146.03 -57.16 0.3 Allowed 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.392 -2.64 . . . . 10.0 110.563 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.52 162.71 39.1 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 129.123 4.014 . . . . 10.0 110.117 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.78 130.31 41.68 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 109.488 -3.506 . . . . 10.0 109.491 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.87 122.82 39.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 113.903 -1.499 . . . . 10.0 113.609 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.67 31.15 1.3 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 126.303 2.954 . . . . 10.0 114.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 20' ' ' LEU . 47.9 t80 -65.58 -38.94 90.97 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 111.591 -2.55 . . . . 10.0 114.572 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -20.93 51.46 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 110.788 -2.915 . . . . 10.0 113.725 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -76.63 -42.29 42.78 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 110.809 -2.905 . . . . 10.0 109.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.416 ' HA ' HG11 ' A' ' 124' ' ' VAL . 18.3 t80 -65.13 -24.11 67.32 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.636 2.46 . . . . 10.0 111.803 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 25' ' ' VAL . 28.6 mt -74.07 -42.57 59.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 113.203 -1.817 . . . . 10.0 112.264 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -53.47 -23.92 11.53 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.477 1.911 . . . . 10.0 115.452 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -75.89 -22.18 56.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.149 -0.932 . . . . 10.0 113.18 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.16 22.78 15.14 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.214 -1.812 . . . . 10.0 112.859 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 48.66 57.76 5.98 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.751 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.774 HG21 HD22 ' A' ' 20' ' ' LEU . 1.2 t -90.08 143.82 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.091 0 CA-C-N 113.116 -1.857 . . . . 10.0 108.913 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -68.63 137.1 53.94 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.795 -2.457 . . . . 10.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -20.73 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.903 -2.408 . . . . 10.0 114.996 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.66 -31.25 41.44 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 124.739 1.275 . . . . 10.0 110.141 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 9.8 tp -74.32 -23.83 59.11 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.275 -2.693 . . . . 10.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -68.95 -32.8 72.66 Favored 'General case' 0 C--O 1.211 -0.922 1 O-C-N 129.215 4.072 . . . . 10.0 111.254 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -41.16 58.34 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 109.766 -3.379 . . . . 10.0 113.711 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.42 -29.69 18.96 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.098 0 O-C-N 127.142 2.776 . . . . 10.0 109.176 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -68.24 -26.83 65.89 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 111.992 -2.367 . . . . 10.0 113.03 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.53 -25.99 68.32 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 112.859 -1.973 . . . . 10.0 113.96 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -112.24 11.26 20.18 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 109.086 -3.688 . . . . 10.0 110.711 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 38' ' ' PRO . 2.0 tt -108.48 101.25 10.43 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 127.937 3.273 . . . . 10.0 112.266 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -143.36 75.64 16.7 Favored Pre-proline 0 CA--C 1.507 -0.683 0 O-C-N 128.653 3.721 . . . . 10.0 108.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' HD23 ' A' ' 36' ' ' LEU . 5.3 Cg_exo -62.8 166.67 13.4 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 124.164 3.243 . . . . 10.0 114.357 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.0 152.15 20.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 111.826 -2.443 . . . . 10.0 109.081 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HB3' HD11 ' A' ' 42' ' ' ILE . 23.4 mttt -123.34 127.94 49.21 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 125.449 2.547 . . . . 10.0 111.262 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -115.18 104.08 11.49 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 111.026 -2.806 . . . . 10.0 109.894 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 40' ' ' LYS . 4.8 mp -104.99 146.5 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 O-C-N 124.976 1.422 . . . . 10.0 112.1 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 t -133.24 85.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 112.324 -2.216 . . . . 10.0 113.439 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 126.37 29.18 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 111.668 -2.514 . . . . 10.0 110.215 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.62 67.15 0.69 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 110.278 -3.147 . . . . 10.0 110.983 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.04 -115.58 4.93 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 111.533 -2.576 . . . . 10.0 111.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.94 -6.26 48.91 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.206 1.955 . . . . 10.0 112.519 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 129.3 43.03 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.018 -2.355 . . . . 10.0 109.611 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.11 66.1 1.55 Allowed 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 126.698 3.142 . . . . 10.0 109.101 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.434 HG21 ' HE ' ' A' ' 52' ' ' ARG . 22.1 mt -52.67 102.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.516 0 CA-C-N 110.197 -3.183 . . . . 10.0 113.086 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.6 mt -97.59 122.53 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 O-C-N 127.835 3.209 . . . . 10.0 108.633 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HE ' HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -114.88 99.61 7.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.858 -2.428 . . . . 10.0 115.158 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.09 111.15 22.69 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 109.869 -3.332 . . . . 10.0 107.649 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.89 116.02 31.2 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 111.934 -2.394 . . . . 10.0 114.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.3 137.42 27.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 124.718 2.199 . . . . 10.0 108.224 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -55.98 -23.46 32.61 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.702 -2.044 . . . . 10.0 112.433 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -81.37 -48.29 12.14 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 112.717 -2.038 . . . . 10.0 110.668 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 59' ' ' ASN . 14.0 ttm-85 -164.32 148.26 9.58 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 114.088 -1.414 . . . . 10.0 111.651 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.6 m120 -117.92 126.03 51.59 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 122.194 0.997 . . . . 10.0 109.463 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -115.42 82.7 1.8 Allowed 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 113.708 -1.587 . . . . 10.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.7 124.36 38.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 112.8 -2.0 . . . . 10.0 109.822 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.7 mtp -121.55 136.5 54.95 Favored 'General case' 0 C--O 1.207 -1.133 0 O-C-N 128.695 3.747 . . . . 10.0 111.4 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -113.73 54.92 0.73 Allowed 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 110.818 -2.901 . . . . 10.0 107.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -35.52 137.16 0.2 Allowed 'General case' 0 CA--C 1.503 -0.842 0 O-C-N 128.611 3.695 . . . . 10.0 113.247 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -138.73 92.25 2.6 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 125.402 2.525 . . . . 10.0 108.252 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.426 HG22 HG12 ' A' ' 86' ' ' VAL . 55.2 t -58.04 133.42 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.985 0 CA-C-N 110.342 -3.117 . . . . 10.0 111.737 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.06 -6.1 83.91 Favored Glycine 0 C--O 1.214 -1.15 0 O-C-N 125.374 1.671 . . . . 10.0 112.291 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -114.93 118.68 34.14 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.713 0.768 . . . . 10.0 110.082 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 152.43 1.15 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 113.85 -1.523 . . . . 10.0 114.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.4 161.65 19.62 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 111.176 -2.738 . . . . 10.0 113.502 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -134.22 56.58 1.84 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 143.79 9.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 110.668 -2.969 . . . . 10.0 113.899 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.4 ' CB ' ' HD2' ' A' ' 81' ' ' LYS . 4.5 p-10 -142.78 114.43 8.03 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.119 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.414 HD12 ' HD3' ' A' ' 80' ' ' ARG . 41.3 mt -106.11 57.89 0.66 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.495 -2.593 . . . . 10.0 113.369 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.563 HG22 ' OD1' ' A' ' 79' ' ' ASP . 72.0 p -82.33 0.44 41.68 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 127.343 2.902 . . . . 10.0 111.681 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.52 -3.43 53.17 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 114.269 -1.332 . . . . 10.0 110.386 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -127.05 -65.39 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 126.034 1.667 . . . . 10.0 113.401 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.47 12.28 1.93 Allowed 'General case' 0 C--N 1.34 0.184 0 O-C-N 125.15 1.531 . . . . 10.0 113.98 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' OD1' HG22 ' A' ' 75' ' ' THR . 17.4 t70 43.0 97.12 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 126.494 2.371 . . . . 10.0 114.346 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.414 ' HD3' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -128.31 -43.79 1.44 Allowed 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HD2' ' CB ' ' A' ' 73' ' ' ASP . 1.1 mptm? 61.2 101.87 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.854 1.788 . . . . 10.0 113.494 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.7 m -140.43 -178.63 5.58 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.553 -1.203 . . . . 10.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.99 143.67 39.64 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.512 HG23 ' OE1' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -133.96 168.31 19.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.345 1.545 . . . . 10.0 112.698 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.492 ' H ' HG22 ' A' ' 84' ' ' THR . 0.2 OUTLIER -146.92 125.17 12.21 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 111.311 -2.677 . . . . 10.0 109.662 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.582 HG21 ' CE2' ' A' ' 64' ' ' PHE . 49.1 t -109.03 101.03 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 123.812 1.767 . . . . 10.0 111.596 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.1 -171.23 1.99 Allowed 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 112.83 -1.987 . . . . 10.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 5.3 p-90 -129.3 121.96 28.59 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.238 -2.255 . . . . 10.0 113.045 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.99 103.6 8.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 112.902 -1.953 . . . . 10.0 109.54 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.8 -103.39 1.98 Allowed Glycine 0 C--O 1.22 -0.729 0 O-C-N 127.184 2.802 . . . . 10.0 110.562 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.51 25.17 2.65 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 128.731 3.254 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -132.16 122.63 25.62 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 110.222 -3.172 . . . . 10.0 113.011 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.2 102.05 0.99 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-N 111.601 -2.545 . . . . 10.0 108.667 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -102.81 132.56 48.9 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 113.431 -1.713 . . . . 10.0 109.676 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.69 98.09 4.1 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 124.972 2.32 . . . . 10.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.89 162.73 3.03 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 110.39 -3.095 . . . . 10.0 109.855 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.539 ' HB2' ' HD3' ' A' ' 104' ' ' ARG . 2.8 mm100 -124.89 157.63 35.49 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 114.551 -1.204 . . . . 10.0 111.737 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 67.31 1.44 Allowed 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 124.681 2.181 . . . . 10.0 112.901 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.88 -155.38 31.5 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 120.089 -1.632 . . . . 10.0 112.629 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.58 -51.95 5.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.929 -2.135 . . . . 10.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 177.11 8.1 Favored 'General case' 0 C--O 1.205 -1.283 0 O-C-N 126.469 2.356 . . . . 10.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.889 ' CD ' ' HB1' ' A' ' 121' ' ' ALA . 0.0 OUTLIER 70.78 136.4 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.128 1 O-C-N 131.119 5.262 . . . . 10.0 110.904 178.98 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.04 61.53 0.99 Allowed Glycine 0 CA--C 1.504 -0.595 0 CA-C-N 115.475 -0.784 . . . . 10.0 112.829 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.583 ' HG3' ' HG2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -71.47 130.14 40.54 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 124.688 2.185 . . . . 10.0 110.812 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.75 114.79 0.31 Allowed Glycine 0 N--CA 1.469 0.867 0 CA-C-N 111.704 -2.498 . . . . 10.0 109.692 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -110.77 152.6 26.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 126.734 2.079 . . . . 10.0 112.991 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 132.62 43.27 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 127.261 2.851 . . . . 10.0 112.391 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -103.12 108.78 20.1 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.171 2.795 . . . . 10.0 110.073 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -133.47 136.82 45.37 Favored 'General case' 0 C--O 1.21 -0.992 1 O-C-N 130.078 4.611 . . . . 10.0 109.928 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.606 HD11 ' CE1' ' A' ' 4' ' ' PHE . 2.6 mp -111.32 135.39 50.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 O-C-N 126.417 2.323 . . . . 10.0 114.108 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -106.64 47.98 0.86 Allowed 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 126.577 2.423 . . . . 10.0 113.751 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.405 ' H ' HG22 ' A' ' 110' ' ' ILE . . . 57.14 88.52 0.02 OUTLIER Glycine 0 C--N 1.349 1.303 0 CA-C-N 111.783 -2.462 . . . . 10.0 113.612 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 t0 70.41 36.32 1.77 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 110.801 -2.7 . . . . 10.0 113.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -160.18 102.2 1.42 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 128.207 3.442 . . . . 10.0 109.435 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.509 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 7.0 tt -74.51 99.84 3.7 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.809 -2.45 . . . . 10.0 109.497 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -99.64 92.11 5.19 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 123.582 1.658 . . . . 10.0 114.754 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.505 HD23 ' SD ' ' A' ' 119' ' ' MET . 13.8 tp -85.24 133.28 34.18 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 113.986 -1.461 . . . . 10.0 107.546 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.72 111.71 22.87 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 128.533 3.646 . . . . 10.0 110.485 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.505 ' SD ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -115.3 149.95 37.03 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 124.963 1.415 . . . . 10.0 111.166 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 24.2 mtm-85 -147.23 152.24 38.0 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 112.436 -2.165 . . . . 10.0 111.603 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.889 ' HB1' ' CD ' ' A' ' 102' ' ' GLU . . . 173.41 140.1 0.04 OUTLIER 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.979 -1.464 . . . . 10.0 110.28 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 45.6 36.24 2.49 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 127.777 3.173 . . . . 10.0 113.439 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.76 24.48 76.93 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-N 111.965 -2.38 . . . . 10.0 112.529 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.615 HG21 ' HB2' ' A' ' 22' ' ' ALA . 3.3 t -114.85 115.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 127.0 2.236 . . . . 10.0 109.798 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.5 m -103.44 132.17 49.92 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 123.938 1.828 . . . . 10.0 113.656 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 147.04 20.49 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 126.229 2.919 . . . . 10.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.29 142.58 35.69 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 110.221 -3.172 . . . . 10.0 111.26 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -99.47 126.32 45.37 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 113.687 -1.597 . . . . 10.0 109.629 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.21 112.09 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 111.82 -2.445 . . . . 10.0 108.41 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -122.62 173.89 7.43 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 113.04 -1.891 . . . . 10.0 109.516 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.37 145.49 31.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 127.977 3.298 . . . . 10.0 113.376 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 12.2 tttt -96.55 138.32 34.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 111.399 -2.637 . . . . 10.0 110.027 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.84 -50.3 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 113.88 -1.509 . . . . 10.0 112.994 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.383 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 124.247 1.975 . . . . 10.0 110.742 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' HB3' HG21 ' A' ' 42' ' ' ILE . 10.0 m-85 -91.17 -32.26 15.88 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 112.977 -1.919 . . . . 10.0 110.046 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.24 88.83 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 111.398 -2.637 . . . . 10.0 111.74 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.22 167.58 39.29 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-O 124.776 2.32 . . . . 10.0 113.131 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.45 109.37 20.95 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-N 111.174 -2.513 . . . . 10.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.6 ' CZ3' HD13 ' A' ' 42' ' ' ILE . 2.7 m0 -103.16 108.61 19.87 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 113.298 -1.774 . . . . 10.0 111.866 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 131' ' ' LYS . 5.4 ptmt -106.55 141.29 38.08 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 125.162 1.538 . . . . 10.0 107.043 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.82 -178.47 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.9 3.238 . . . . 10.0 114.991 -179.223 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' HG2' ' A' ' 10' ' ' MET . 0.4 OUTLIER -158.17 -61.78 0.08 Allowed 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 108.994 -3.73 . . . . 10.0 109.051 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -179.09 148.06 0.37 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 127.283 2.864 . . . . 10.0 111.361 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' HB3' ' HG2' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -126.9 150.75 49.15 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 110.181 -3.19 . . . . 10.0 112.217 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -121.98 151.67 40.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.645 -2.98 . . . . 10.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.01 24.03 7.34 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 112.658 -2.065 . . . . 10.0 110.966 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -75.92 -35.99 59.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.801 -1.545 . . . . 10.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.24 -36.67 61.26 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 125.183 1.552 . . . . 10.0 112.39 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -75.62 -28.88 59.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.673 -1.603 . . . . 10.0 112.055 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.9 t80 -68.75 -28.45 66.81 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 127.357 2.91 . . . . 10.0 113.848 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 20' ' ' LEU . 72.9 mt -73.99 -38.9 63.98 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 112.107 -2.315 . . . . 10.0 109.929 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -65.47 -24.89 67.27 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 127.112 2.757 . . . . 10.0 113.956 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.68 70.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 126.031 2.082 . . . . 10.0 114.021 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 10.6 mt -98.68 9.27 43.68 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 126.742 2.526 . . . . 10.0 109.628 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.9 75.54 0.21 Allowed 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 126.57 2.419 . . . . 10.0 109.92 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.66 144.4 24.48 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 CA-C-N 111.485 -2.598 . . . . 10.0 111.534 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -43.3 146.28 0.48 Allowed 'General case' 0 C--N 1.345 0.37 0 O-C-N 128.167 3.417 . . . . 10.0 113.015 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' NH2' ' A' ' 30' ' ' ARG . 4.3 p -75.99 -20.22 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 123.255 1.502 . . . . 10.0 110.4 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.83 59.9 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 123.169 1.462 . . . . 10.0 109.63 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tp -79.83 -28.63 40.11 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 113.744 -1.571 . . . . 10.0 112.815 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' NH2' HG23 ' A' ' 27' ' ' VAL . 11.0 ttm180 -75.14 -33.93 61.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 110.693 -2.958 . . . . 10.0 109.187 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -72.53 -39.45 67.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 128.186 3.429 . . . . 10.0 111.752 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.678 ' O ' HD23 ' A' ' 36' ' ' LEU . 23.7 mt -73.24 -44.6 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 CA-C-N 109.53 -3.486 . . . . 10.0 109.725 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.66 67.98 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 123.433 1.587 . . . . 10.0 113.746 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -33.87 69.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 123.897 1.808 . . . . 10.0 113.027 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.33 11.79 35.35 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 113.378 -1.737 . . . . 10.0 112.966 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -82.85 -74.42 0.36 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 125.977 2.048 . . . . 10.0 114.484 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.37 71.18 1.48 Allowed Pre-proline 0 CA--C 1.51 -0.569 0 C-N-CA 118.188 -1.405 . . . . 10.0 112.255 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -72.88 -177.79 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.82 1.68 . . . . 10.0 113.617 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.55 112.21 7.12 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 123.945 1.831 . . . . 10.0 109.125 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.23 148.84 24.17 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 110.742 -2.936 . . . . 10.0 113.902 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -136.58 102.36 4.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 127.581 3.051 . . . . 10.0 109.438 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.6 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mp -96.32 135.4 30.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 113.153 -1.84 . . . . 10.0 110.848 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -122.63 101.01 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 O-C-N 126.695 2.497 . . . . 10.0 113.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -82.94 122.05 27.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 111.583 -2.553 . . . . 10.0 110.698 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -120.51 16.66 12.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.209 -0.932 . . . . 10.0 112.062 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.09 -82.56 0.35 Allowed Glycine 0 N--CA 1.467 0.734 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.2 -52.01 4.89 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 110.81 -2.695 . . . . 10.0 109.646 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.97 127.55 33.19 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 111.896 -2.411 . . . . 10.0 110.452 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.77 59.94 1.28 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 110.784 -2.916 . . . . 10.0 109.261 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 62' ' ' MET . 6.1 mt -43.59 129.4 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-N 109.549 -3.478 . . . . 10.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 ' HB2' ' A' ' 64' ' ' PHE . 2.6 mt -116.49 127.81 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 112.267 -2.242 . . . . 10.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.39 144.31 50.87 Favored 'General case' 0 C--O 1.208 -1.086 0 O-C-N 124.521 1.138 . . . . 10.0 111.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.525 ' C ' HD23 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -137.91 120.53 16.19 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 110.283 -3.144 . . . . 10.0 111.46 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.525 HD23 ' C ' ' A' ' 53' ' ' THR . 1.2 mt -111.26 76.71 0.99 Allowed 'General case' 0 C--O 1.216 -0.66 0 O-C-N 128.994 3.934 . . . . 10.0 107.726 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 8.8 p -82.33 -4.36 57.1 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 110.904 -2.862 . . . . 10.0 112.788 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 m 62.01 21.64 12.5 Favored 'General case' 0 C--O 1.209 -1.048 0 O-C-N 125.912 2.008 . . . . 10.0 113.287 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 36' ' ' LEU . 2.8 m-85 -141.66 -68.21 0.39 Allowed 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.143 -2.299 . . . . 10.0 109.681 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -129.78 88.4 2.67 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 112.829 -1.987 . . . . 10.0 112.015 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -54.07 106.59 0.2 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 111.23 -2.714 . . . . 10.0 110.492 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -106.59 113.76 27.45 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 123.162 1.458 . . . . 10.0 113.882 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 61' ' ' ILE . 5.3 mp -120.97 135.69 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 113.245 -1.798 . . . . 10.0 110.374 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 50' ' ' ILE . 8.2 mmt -146.47 165.04 30.61 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 110.08 -3.236 . . . . 10.0 112.016 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -127.14 70.79 1.3 Allowed 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.714 1.259 . . . . 10.0 110.006 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.452 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -65.45 104.92 1.06 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 128.732 3.77 . . . . 10.0 110.526 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 62.8 mt-30 -96.66 146.21 25.06 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.906 -1.952 . . . . 10.0 109.499 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.78 132.83 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.92 43.7 5.45 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.272 -1.786 . . . . 10.0 109.711 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 1.2 tpmp? -111.08 -48.62 3.09 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 114.552 1.315 . . . . 10.0 114.552 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 86.99 132.68 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.91 0 O-C-N 127.424 2.953 . . . . 10.0 111.914 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 6.6 p90 -161.26 168.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 124.277 1.989 . . . . 10.0 112.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.3 145.91 41.42 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.135 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.02 107.65 4.84 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.306 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 114.42 23.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 112.134 -2.303 . . . . 10.0 110.315 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.3 mm? -96.01 53.22 1.36 Allowed 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 111.661 -2.518 . . . . 10.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.4 p -70.86 -3.63 20.08 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.612 -1.631 . . . . 10.0 114.793 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.52 1.09 32.53 Favored Glycine 0 N--CA 1.471 1.014 0 C-N-CA 119.693 -1.241 . . . . 10.0 113.165 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.6 mt -117.96 -70.43 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 112.329 -1.936 . . . . 10.0 110.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -150.03 27.41 0.78 Allowed 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 114.153 1.168 . . . . 10.0 114.153 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 35.07 92.87 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.902 0 O-C-N 128.795 3.81 . . . . 10.0 114.64 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -129.66 100.14 5.4 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 109.533 -3.485 . . . . 10.0 110.195 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 123.38 33.46 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 116.667 -2.013 . . . . 10.0 108.811 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -158.09 171.5 20.11 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 128.528 3.643 . . . . 10.0 111.686 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.402 ' HB2' ' HD3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -107.73 126.42 52.59 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 128.533 3.645 . . . . 10.0 107.359 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 97' ' ' GLN . 8.6 m -109.8 151.66 26.7 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 125.911 2.007 . . . . 10.0 114.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.14 134.61 28.03 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 110.147 -3.206 . . . . 10.0 107.679 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.26 109.21 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 O-C-N 127.329 2.893 . . . . 10.0 114.224 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 t -98.17 141.96 30.44 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.282 0.989 . . . . 10.0 111.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' TRP . 0.0 OUTLIER -107.31 25.88 10.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.826 -1.079 . . . . 10.0 113.905 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -2.06 -66.85 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 127.482 2.989 . . . . 10.0 115.951 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.66 -97.74 0.49 Allowed Glycine 0 C--O 1.214 -1.147 0 CA-C-O 124.334 2.074 . . . . 10.0 111.583 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -109.99 27.25 9.78 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.437 1.589 . . . . 10.0 113.631 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.75 -178.36 7.24 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.719 -1.582 . . . . 10.0 112.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.44 119.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 126.171 2.169 . . . . 10.0 112.57 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.14 102.51 8.19 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.827 1.775 . . . . 10.0 108.433 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.0 t -87.71 128.59 35.3 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 110.745 -2.934 . . . . 10.0 113.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.43 131.9 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.124 0 CA-C-N 113.198 -1.819 . . . . 10.0 112.664 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.508 ' HG2' HG23 ' A' ' 84' ' ' THR . 34.7 mt-30 -104.2 137.5 42.03 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 111.723 -2.489 . . . . 10.0 107.573 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 83' ' ' MET . 4.5 ptmt -93.61 51.54 1.59 Allowed 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 124.956 2.312 . . . . 10.0 114.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.46 158.74 15.46 Favored Glycine 0 C--O 1.219 -0.794 0 CA-C-N 112.171 -2.286 . . . . 10.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -51.91 158.59 1.0 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 118.081 -0.962 . . . . 10.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 105.88 136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 1 O-C-N 130.108 4.63 . . . . 10.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -97.16 132.24 43.13 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 112.04 -2.345 . . . . 10.0 110.035 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.07 1.79 Allowed Glycine 0 C--O 1.211 -1.34 0 N-CA-C 108.18 -1.968 . . . . 10.0 108.18 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -34.53 130.5 0.37 Allowed 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 129.165 3.509 . . . . 10.0 110.8 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.86 110.46 1.35 Allowed Glycine 0 C--O 1.213 -1.183 0 CA-C-N 112.723 -2.035 . . . . 10.0 109.409 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.732 ' CH2' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.58 177.8 0.19 Allowed 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 114.438 -0.881 . . . . 10.0 112.406 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m 179.92 129.21 0.09 Allowed 'General case' 0 C--O 1.22 -0.497 0 O-C-N 127.764 3.165 . . . . 10.0 110.079 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 109' ' ' TRP . 25.2 tt0 -139.03 147.01 41.52 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 111.479 -2.6 . . . . 10.0 114.377 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.425 ' N ' ' HG2' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -157.62 124.3 4.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 110.891 -2.868 . . . . 10.0 109.546 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.3 mt -84.3 151.23 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.162 0 CA-C-N 110.756 -2.929 . . . . 10.0 112.689 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.43 -64.14 1.31 Allowed 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 123.632 1.682 . . . . 10.0 112.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.16 -102.12 1.03 Allowed Glycine 0 CA--C 1.503 -0.717 0 N-CA-C 109.088 -1.605 . . . . 10.0 109.088 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -118.34 17.97 13.75 Favored 'General case' 0 CA--C 1.494 -1.19 0 CA-C-O 122.332 1.063 . . . . 10.0 109.738 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.49 109.88 11.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 111.944 -2.389 . . . . 10.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 116' ' ' HIS . 0.5 OUTLIER -78.03 119.11 21.01 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 125.894 1.996 . . . . 10.0 112.605 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.548 ' N ' HD23 ' A' ' 115' ' ' LEU . 16.5 t60 -116.48 152.7 33.5 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 129.008 3.943 . . . . 10.0 108.461 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.732 HD22 ' CH2' ' A' ' 106' ' ' TRP . 1.2 pp -156.3 149.31 24.15 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 111.123 -2.762 . . . . 10.0 109.24 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -125.85 79.29 1.82 Allowed 'General case' 0 CA--C 1.494 -1.19 0 CA-C-N 114.393 -1.276 . . . . 10.0 113.439 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.571 ' CG ' ' HB3' ' A' ' 126' ' ' CYS . 23.0 ptm -74.01 166.65 23.0 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 127.574 3.046 . . . . 10.0 108.787 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -144.97 153.12 41.18 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 111.728 -2.487 . . . . 10.0 108.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -166.57 103.09 0.59 Allowed 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 126.71 2.506 . . . . 10.0 113.441 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 76.25 26.06 0.97 Allowed 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 123.555 1.645 . . . . 10.0 113.81 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.55 -17.08 58.94 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 121.02 -1.05 . . . . 10.0 112.105 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 125' ' ' THR . 12.6 t -77.21 166.35 2.74 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.067 0 CA-C-N 111.216 -2.492 . . . . 10.0 108.658 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.511 ' N ' HG12 ' A' ' 124' ' ' VAL . 24.2 m -140.88 112.65 7.62 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 112.951 -1.932 . . . . 10.0 110.323 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.571 ' HB3' ' CG ' ' A' ' 119' ' ' MET . 2.2 t -98.19 142.03 30.37 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 125.55 2.595 . . . . 10.0 113.906 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -117.55 100.43 7.64 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.321 -2.112 . . . . 10.0 113.631 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HG2' ' HB3' ' A' ' 13' ' ' ASN . 67.6 mt-30 -103.11 117.82 35.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.6 t -113.06 116.42 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 O-C-N 125.599 1.812 . . . . 10.0 114.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' MET . 8.7 m-85 -114.45 141.25 47.92 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.171 1.462 . . . . 10.0 109.497 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 tptt -99.61 118.41 36.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 125.528 2.585 . . . . 10.0 112.554 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 133' ' ' VAL . 4.6 ttmt -65.93 133.56 51.15 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 124.84 2.257 . . . . 10.0 108.732 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 132' ' ' LYS . 90.3 t -104.39 -38.43 4.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 CA-C-N 110.927 -2.851 . . . . 10.0 114.396 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--O 1.261 1.68 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.277 -179.905 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 122.198 0.999 . . . . 10.0 109.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -72.82 -12.29 60.93 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 113.466 -1.697 . . . . 10.0 112.708 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.42 126.87 14.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.59 -2.096 . . . . 10.0 113.717 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.7 -171.59 34.28 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-O 124.924 2.402 . . . . 10.0 109.772 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CE1' ' HG2' ' A' ' 41' ' ' GLU . 1.2 m-85 -117.43 87.3 2.68 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 109.914 -3.143 . . . . 10.0 109.061 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.632 ' CD1' HD12 ' A' ' 42' ' ' ILE . 1.7 m95 -86.6 146.44 26.34 Favored 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 127.108 3.337 . . . . 10.0 113.379 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -154.1 136.59 15.06 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 109.254 -3.612 . . . . 10.0 110.96 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.7 ttm -78.28 132.04 37.33 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 111.818 -2.446 . . . . 10.0 111.396 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 131' ' ' LYS . 7.0 mt -98.04 -45.69 6.16 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 110.022 -3.263 . . . . 10.0 111.213 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 p -148.68 164.21 35.02 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-N 109.63 -3.441 . . . . 10.0 109.866 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -145.38 171.95 13.87 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 123.755 1.74 . . . . 10.0 109.641 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.71 140.24 18.81 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 123.817 1.77 . . . . 10.0 109.506 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 59.31 26.78 15.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 110.983 -2.826 . . . . 10.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.64 ' HE1' ' HB1' ' A' ' 33' ' ' ALA . 27.2 t80 -69.01 -32.66 72.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 124.644 2.164 . . . . 10.0 113.061 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.22 -33.37 61.36 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.425 -2.17 . . . . 10.0 112.877 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.45 -26.91 41.65 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 112.553 -2.112 . . . . 10.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -76.44 -25.26 54.22 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 123.7 1.714 . . . . 10.0 113.918 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 30' ' ' ARG . 68.9 mt -76.67 -35.75 57.74 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 112.827 -1.988 . . . . 10.0 110.28 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -76.11 -20.12 57.92 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 127.411 2.944 . . . . 10.0 113.249 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.33 67.48 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.768 3.167 . . . . 10.0 114.855 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 23' ' ' LEU . 68.3 mt -105.32 13.87 29.76 Favored 'General case' 0 C--O 1.21 -0.979 0 O-C-N 126.422 2.326 . . . . 10.0 112.99 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 49.26 35.95 8.48 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.887 1.803 . . . . 10.0 111.702 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.604 HG11 HD22 ' A' ' 29' ' ' LEU . 23.9 t -50.46 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 113.5 -1.682 . . . . 10.0 111.379 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.494 ' N ' HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER 174.19 148.87 0.08 Allowed 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 125.049 1.34 . . . . 10.0 110.351 179.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 t -76.37 -31.52 20.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -77.88 -23.58 48.76 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 111.211 -2.722 . . . . 10.0 113.248 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD22 HG11 ' A' ' 25' ' ' VAL . 3.8 tt -78.12 -33.89 50.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 123.522 1.629 . . . . 10.0 108.259 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HA ' HD13 ' A' ' 20' ' ' LEU . 4.5 ttp180 -65.9 -34.81 78.99 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 111.967 -2.378 . . . . 10.0 112.288 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 35' ' ' LEU . 4.1 mttp -65.7 -41.8 91.91 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 113.205 -1.816 . . . . 10.0 112.259 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.3 mp -76.87 -38.82 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 CA-C-N 110.259 -3.155 . . . . 10.0 112.397 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.64 ' HB1' ' HE1' ' A' ' 16' ' ' PHE . . . -58.13 -23.0 53.43 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 120.324 -1.485 . . . . 10.0 114.274 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -72.32 -29.88 64.25 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.855 1.788 . . . . 10.0 114.555 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 31' ' ' LYS . 1.2 mp -100.06 18.81 17.61 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.344 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.711 HD12 ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -145.49 135.27 23.49 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 126.486 3.041 . . . . 10.0 113.056 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -134.07 91.27 24.2 Favored Pre-proline 0 CA--C 1.51 -0.582 0 CA-C-N 111.213 -2.721 . . . . 10.0 108.273 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' HD12 ' A' ' 36' ' ' LEU . 21.8 Cg_exo -56.58 179.17 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.075 0 O-C-N 127.425 3.329 . . . . 10.0 114.614 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.11 158.77 43.71 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 111.204 -2.725 . . . . 10.0 108.558 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.608 ' CG ' ' HB2' ' A' ' 8' ' ' TRP . 1.7 ptpp? -137.41 160.63 38.55 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.073 -2.785 . . . . 10.0 115.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 23.0 mt-10 -136.36 97.79 3.67 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 111.292 -2.686 . . . . 10.0 111.964 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.632 HD12 ' CD1' ' A' ' 8' ' ' TRP . 19.8 mt -91.78 122.8 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 O-C-N 128.414 3.571 . . . . 10.0 111.452 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -126.92 91.65 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.868 0 CA-C-N 112.886 -1.961 . . . . 10.0 110.747 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.36 160.04 7.19 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 127.687 3.117 . . . . 10.0 110.078 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.01 74.81 0.15 Allowed 'General case' 0 CA--C 1.498 -1.031 0 O-C-N 126.652 2.47 . . . . 10.0 112.971 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.28 -100.11 0.5 Allowed Glycine 0 C--O 1.21 -1.371 0 CA-C-O 123.945 1.859 . . . . 10.0 113.396 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.71 -35.0 16.98 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.96 -2.12 . . . . 10.0 110.574 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -82.07 135.41 35.33 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 113.054 -1.885 . . . . 10.0 113.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.0 ttm -122.5 108.22 12.92 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 127.087 2.742 . . . . 10.0 112.011 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.8 mt -106.04 125.43 61.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 112.145 -2.298 . . . . 10.0 113.092 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.92 116.36 44.46 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 113.039 -1.891 . . . . 10.0 110.017 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD2' HG12 ' A' ' 61' ' ' ILE . 2.4 mmm180 -97.12 171.07 8.69 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 124.201 1.953 . . . . 10.0 110.53 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -151.88 108.38 3.46 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 110.677 -2.965 . . . . 10.0 109.359 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.9 mt -98.13 104.22 16.23 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 110.606 -2.997 . . . . 10.0 113.547 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.89 119.56 13.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.176 -1.374 . . . . 10.0 109.11 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.1 p -55.01 -21.9 13.54 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 127.438 2.961 . . . . 10.0 114.86 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CE1' HG21 ' A' ' 32' ' ' ILE . 2.6 t80 -74.53 -34.54 63.01 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 125.712 2.673 . . . . 10.0 112.1 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 172.81 121.74 0.02 OUTLIER 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 111.537 -2.574 . . . . 10.0 110.773 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -86.38 132.21 34.01 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.386 -2.188 . . . . 10.0 112.625 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.483 ' CE2' ' CD1' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -100.31 -138.08 0.32 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 115.213 -2.327 . . . . 10.0 106.176 179.216 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' HD2' ' A' ' 52' ' ' ARG . 21.8 mt 127.12 139.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 1 O-C-N 129.158 4.036 . . . . 10.0 112.447 178.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.8 mtt -131.51 148.57 52.64 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 125.122 2.391 . . . . 10.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -119.53 32.52 6.04 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 112.598 -2.092 . . . . 10.0 110.94 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.497 ' HZ ' HG21 ' A' ' 84' ' ' THR . 0.2 OUTLIER -40.36 133.17 1.9 Allowed 'General case' 0 C--O 1.216 -0.673 0 O-C-N 126.798 2.561 . . . . 10.0 114.553 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 34.3 mt-30 -112.95 150.15 32.25 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 111.568 -2.56 . . . . 10.0 108.785 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -99.62 131.09 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 O-C-N 124.108 0.88 . . . . 10.0 111.265 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.59 -3.59 86.91 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-O 124.138 1.966 . . . . 10.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 65' ' ' GLN . 6.5 mmtm -103.19 157.28 17.11 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 112.569 -1.815 . . . . 10.0 109.194 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -131.72 109.6 10.28 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 124.272 1.987 . . . . 10.0 112.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -135.36 162.91 31.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.85 -2.886 . . . . 10.0 114.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.53 163.45 18.62 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 126.146 2.154 . . . . 10.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -141.11 102.78 4.32 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 122.549 1.166 . . . . 10.0 113.572 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.8 108.08 19.32 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 111.545 -2.571 . . . . 10.0 108.308 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.65 1.35 49.65 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.727 -2.033 . . . . 10.0 113.72 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 p -40.4 107.89 0.08 Allowed 'General case' 0 CA--C 1.495 -1.158 0 O-C-N 126.685 2.49 . . . . 10.0 115.205 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.29 -11.26 7.65 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.018 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.483 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 15.1 mt -112.5 -66.78 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-N 111.563 -2.319 . . . . 10.0 111.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.03 11.35 2.85 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 114.496 -1.229 . . . . 10.0 114.083 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 50.35 73.09 0.29 Allowed 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 124.467 2.079 . . . . 10.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -142.32 150.84 41.33 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.472 -3.058 . . . . 10.0 108.601 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -138.11 125.84 22.33 Favored 'General case' 0 CA--C 1.506 -0.721 0 O-C-N 128.783 3.802 . . . . 10.0 108.906 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 p -156.07 163.76 39.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 125.57 2.605 . . . . 10.0 112.709 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.0 mtm -92.92 115.16 27.86 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 109.434 -3.53 . . . . 10.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.497 HG21 ' HZ ' ' A' ' 64' ' ' PHE . 3.3 m -106.04 148.65 27.51 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 125.715 1.885 . . . . 10.0 115.197 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.96 134.75 17.69 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 110.286 -3.143 . . . . 10.0 113.314 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.0 t -113.96 138.17 44.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-O 125.335 2.493 . . . . 10.0 109.16 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -139.01 161.77 36.56 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 110.672 -2.967 . . . . 10.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -94.06 157.94 15.85 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.249 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -154.95 46.63 0.53 Allowed 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 126.997 2.686 . . . . 10.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.55 -91.82 1.74 Allowed Glycine 0 C--O 1.215 -1.09 0 CA-C-N 113.54 -1.664 . . . . 10.0 111.324 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.81 -51.6 3.03 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 128.279 2.988 . . . . 10.0 111.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.622 ' HD3' HG22 ' A' ' 107' ' ' THR . 6.9 ttmt -73.42 133.54 43.76 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.002 -1.908 . . . . 10.0 108.987 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 tt -111.01 114.59 28.01 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 128.269 3.48 . . . . 10.0 110.943 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 107' ' ' THR . 1.3 mt-30 -103.07 145.34 30.05 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 111.998 -2.365 . . . . 10.0 110.781 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 64.1 m -130.61 83.46 2.12 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 110.739 -2.937 . . . . 10.0 108.747 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.86 154.7 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.89 0 CA-C-N 113.343 -1.753 . . . . 10.0 113.685 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.47 158.52 26.08 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-O 122.29 1.043 . . . . 10.0 109.18 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -127.3 46.22 2.57 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.367 -2.197 . . . . 10.0 113.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.73 -163.89 38.55 Favored Glycine 0 CA--C 1.494 -1.279 0 CA-C-N 111.615 -2.539 . . . . 10.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.414 ' C ' ' HG2' ' A' ' 101' ' ' LYS . 45.0 mm-40 -99.68 146.46 26.48 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.358 -0.921 . . . . 10.0 113.026 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG2' ' C ' ' A' ' 100' ' ' GLU . 2.4 mmtt 87.74 176.72 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.508 1 O-C-N 130.013 4.571 . . . . 10.0 108.598 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.07 171.94 13.62 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 124.093 0.87 . . . . 10.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.6 -91.96 1.7 Allowed Glycine 0 C--O 1.211 -1.292 0 O-C-N 127.444 2.965 . . . . 10.0 114.237 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 15.91 97.3 0.0 OUTLIER 'General case' 0 C--O 1.216 -0.662 1 O-C-N 130.088 4.052 . . . . 10.0 114.237 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.06 138.91 3.55 Favored Glycine 0 C--O 1.211 -1.309 0 CA-C-N 110.86 -2.882 . . . . 10.0 112.744 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -105.12 151.84 23.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 113.434 -1.383 . . . . 10.0 114.537 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.622 HG22 ' HD3' ' A' ' 92' ' ' LYS . 1.4 m -126.11 103.31 7.64 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 110.896 -2.865 . . . . 10.0 108.232 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 146.78 23.95 Favored 'General case' 0 CA--C 1.498 -1.042 0 O-C-N 125.851 1.969 . . . . 10.0 114.967 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -151.01 134.1 15.98 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 111.222 -2.717 . . . . 10.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mt -96.79 140.84 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-O 125.508 2.575 . . . . 10.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -137.75 178.68 6.92 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 111.495 -2.593 . . . . 10.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.72 102.59 0.06 OUTLIER Glycine 0 C--O 1.211 -1.283 0 CA-C-N 112.254 -2.248 . . . . 10.0 111.507 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.03 32.39 0.11 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.924 -2.138 . . . . 10.0 113.928 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -148.81 156.05 41.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 125.918 2.011 . . . . 10.0 110.367 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.515 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -114.54 117.99 32.49 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 113.256 -1.793 . . . . 10.0 112.829 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.24 129.22 42.44 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.46 1.6 . . . . 10.0 109.151 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.5 tp -135.98 105.03 5.91 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 112.079 -2.328 . . . . 10.0 112.973 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -95.85 70.87 2.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.003 -1.453 . . . . 10.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.29 141.25 58.83 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 124.06 1.886 . . . . 10.0 109.466 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -144.73 112.35 6.19 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 110.26 -3.154 . . . . 10.0 111.496 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.02 131.32 34.82 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 113.002 -1.908 . . . . 10.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.86 22.75 10.57 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.023 -2.808 . . . . 10.0 110.271 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.7 41.29 24.43 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-O 124.761 2.312 . . . . 10.0 114.265 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.53 109.87 10.82 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 125.365 2.507 . . . . 10.0 111.367 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.2 m -81.21 130.65 35.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-N 109.752 -3.386 . . . . 10.0 113.439 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.8 t -126.53 142.34 51.57 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 111.395 -2.638 . . . . 10.0 109.178 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -136.55 114.47 11.34 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.054 1.407 . . . . 10.0 113.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.54 109.71 13.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.927 -1.942 . . . . 10.0 111.452 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.15 130.11 43.51 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-O 122.922 1.344 . . . . 10.0 113.174 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.515 ' CD2' ' HB3' ' A' ' 115' ' ' LEU . 3.8 m-30 -99.5 174.23 6.36 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 110.947 -2.842 . . . . 10.0 108.948 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.484 ' HB2' HD12 ' A' ' 11' ' ' LEU . 16.3 tptm -152.37 102.96 2.8 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.32 1.057 . . . . 10.0 110.413 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -52.47 122.08 8.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 111.279 -2.692 . . . . 10.0 114.24 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 131' ' ' LYS . 88.4 t -133.99 85.89 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 127.389 2.93 . . . . 10.0 107.694 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t60 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 114.773 -2.537 . . . . 10.0 112.861 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 . . . . . 0 CA--C 1.499 -1.015 0 CA-C-O 122.051 0.929 . . . . 10.0 112.574 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.563 ' HZ ' HD22 ' A' ' 93' ' ' LEU . 16.7 m-85 -89.57 -28.88 19.28 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -55.55 125.74 22.32 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 127.026 2.703 . . . . 10.0 110.341 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.56 -176.1 29.3 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 113.345 -1.752 . . . . 10.0 113.993 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.82 105.41 12.66 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 113.085 -1.558 . . . . 10.0 109.738 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 42' ' ' ILE . 7.2 m0 -96.33 102.22 13.98 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 113.25 -1.796 . . . . 10.0 113.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -93.17 151.97 19.51 Favored 'General case' 0 C--O 1.208 -1.126 0 O-C-N 125.683 1.864 . . . . 10.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttp -87.99 151.72 22.57 Favored 'General case' 0 C--O 1.208 -1.124 0 C-N-CA 118.65 -1.22 . . . . 10.0 113.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.63 -59.63 1.99 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-N 112.571 -2.104 . . . . 10.0 113.418 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -124.51 144.9 49.85 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 111.954 -2.384 . . . . 10.0 113.564 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.3 121.2 44.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.447 2.967 . . . . 10.0 107.865 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.66 128.83 33.83 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 125.027 1.455 . . . . 10.0 113.941 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.39 11.17 5.3 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 126.886 3.232 . . . . 10.0 114.263 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -55.79 -36.25 67.18 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 117.676 -3.14 . . . . 10.0 115.062 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.23 -40.43 67.77 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-N 113.158 -1.837 . . . . 10.0 111.918 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.46 -27.52 60.62 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.64 1.838 . . . . 10.0 111.566 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -76.8 -27.31 55.17 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 129.035 3.959 . . . . 10.0 113.13 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 25' ' ' VAL . 8.7 mt -75.04 -36.26 61.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 110.883 -2.871 . . . . 10.0 113.798 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -63.63 -31.97 73.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 111.039 -2.801 . . . . 10.0 114.338 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.77 64.62 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 111.242 -2.708 . . . . 10.0 113.838 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.67 20.52 18.72 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 125.647 2.641 . . . . 10.0 115.075 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.16 43.1 29.97 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 112.757 -2.02 . . . . 10.0 114.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 20' ' ' LEU . 53.0 t -88.25 126.83 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 C-N-CA 118.475 -1.29 . . . . 10.0 109.089 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -48.85 158.24 0.33 Allowed 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 125.113 2.387 . . . . 10.0 114.826 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.19 -21.38 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 CA-C-N 110.561 -3.018 . . . . 10.0 112.672 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.93 -54.14 6.65 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 111.699 -2.5 . . . . 10.0 111.437 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tp -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 126.061 2.101 . . . . 10.0 114.068 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HG3' HD12 ' A' ' 20' ' ' LEU . 59.0 ttp85 -76.05 -23.04 55.06 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 110.043 -3.253 . . . . 10.0 111.822 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -32.2 62.96 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 110.973 -2.831 . . . . 10.0 109.3 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.535 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.0 mm -78.69 -30.88 15.12 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 O-C-N 126.306 2.254 . . . . 10.0 110.671 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.42 67.72 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 112.281 -2.236 . . . . 10.0 114.657 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.74 -20.75 58.08 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 117.306 -1.757 . . . . 10.0 113.614 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.2 mt -96.08 11.04 35.58 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 124.802 2.239 . . . . 10.0 112.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 129.2 55.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 110.637 -2.983 . . . . 10.0 114.149 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -146.28 60.78 6.52 Favored Pre-proline 0 CA--C 1.507 -0.705 0 CA-C-N 111.468 -2.605 . . . . 10.0 108.558 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 5.5 Cg_endo -66.38 168.63 15.73 Favored 'Trans proline' 0 CA--C 1.512 -0.592 0 O-C-N 126.445 2.813 . . . . 10.0 113.617 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.15 163.5 13.28 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 110.014 -3.266 . . . . 10.0 109.385 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -125.67 131.57 52.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 126.802 2.564 . . . . 10.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.39 118.36 33.64 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.502 -2.59 . . . . 10.0 108.697 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.646 HD12 ' CH2' ' A' ' 8' ' ' TRP . 17.0 mt -123.52 124.29 69.28 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 O-C-N 125.798 1.936 . . . . 10.0 111.255 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.81 68.43 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 127.149 2.781 . . . . 10.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 4' ' ' PHE . 4.6 tt0 -50.73 121.27 5.63 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 125.864 1.978 . . . . 10.0 112.92 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -120.93 86.51 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 127.432 2.957 . . . . 10.0 112.919 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.22 -146.17 28.89 Favored Glycine 0 CA--C 1.494 -1.273 0 CA-C-O 125.203 2.557 . . . . 10.0 110.469 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -55.57 -34.49 64.82 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 111.807 -2.196 . . . . 10.0 108.796 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.32 158.22 19.72 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.07 -1.877 . . . . 10.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -135.5 127.05 28.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.838 2.586 . . . . 10.0 109.692 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -101.43 131.6 48.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 CA-C-N 113.89 -1.505 . . . . 10.0 111.894 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.74 126.68 65.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.524 1.765 . . . . 10.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.772 ' HG3' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -117.11 161.57 19.21 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.814 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -148.46 107.63 3.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 110.562 -3.017 . . . . 10.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.83 87.04 2.44 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 123.618 1.675 . . . . 10.0 111.568 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -37.2 9.34 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 111.881 -2.418 . . . . 10.0 113.42 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 92.94 -7.93 0.16 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 127.678 3.111 . . . . 10.0 111.29 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 t80 -78.77 -20.12 50.62 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 112.634 -2.075 . . . . 10.0 112.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.89 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.355 0.819 0 O-C-N 127.619 3.074 . . . . 10.0 114.196 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 77.56 153.48 0.14 Allowed 'General case' 0 CA--C 1.494 -1.207 1 O-C-N 130.185 4.678 . . . . 10.0 113.519 177.148 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -170.16 101.19 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 125.472 2.558 . . . . 10.0 114.208 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.772 HD12 ' HG3' ' A' ' 52' ' ' ARG . 4.3 mm -96.28 161.67 2.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-N 111.831 -2.44 . . . . 10.0 108.388 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 -69.17 0.25 Allowed 'General case' 0 C--O 1.211 -0.951 0 O-C-N 126.068 2.105 . . . . 10.0 111.369 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 76.71 104.31 0.07 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.505 -2.589 . . . . 10.0 109.737 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CD2' HG21 ' A' ' 86' ' ' VAL . 1.6 m-85 -84.98 153.12 22.97 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 113.743 -1.572 . . . . 10.0 114.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -132.87 111.96 11.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 113.545 -1.661 . . . . 10.0 109.134 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.07 148.93 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 126.265 2.228 . . . . 10.0 110.743 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.68 21.99 7.76 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-N 113.677 -1.601 . . . . 10.0 114.562 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -132.63 154.16 50.36 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 124.26 1.981 . . . . 10.0 111.615 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 84' ' ' THR . 22.4 tp10 -96.36 151.77 19.22 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.005 -2.362 . . . . 10.0 109.924 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.489 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 9.9 p90 -167.9 160.83 12.59 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.204 -1.816 . . . . 10.0 110.113 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -74.09 155.77 38.13 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.875 -2.875 . . . . 10.0 109.965 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.556 ' OE2' HD11 ' A' ' 74' ' ' LEU . 7.2 tt0 -118.6 51.81 1.08 Allowed 'General case' 0 C--O 1.208 -1.091 0 O-C-N 127.786 3.179 . . . . 10.0 114.233 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.7 116.41 2.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 110.745 -2.934 . . . . 10.0 107.742 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.556 HD11 ' OE2' ' A' ' 72' ' ' GLU . 1.7 mt -111.71 9.81 20.95 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 126.849 2.593 . . . . 10.0 113.443 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.53 HG23 ' OD1' ' A' ' 79' ' ' ASP . 7.3 m -57.36 127.25 31.02 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 126.027 2.079 . . . . 10.0 107.558 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.03 14.95 Favored Glycine 0 C--O 1.222 -0.651 0 O-C-N 125.777 1.923 . . . . 10.0 109.174 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.84 -70.16 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 127.751 2.677 . . . . 10.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -137.96 20.87 2.84 Favored 'General case' 0 C--O 1.207 -1.144 0 O-C-N 125.193 1.558 . . . . 10.0 113.698 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 75' ' ' THR . 3.5 m-20 41.2 85.49 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 125.273 1.608 . . . . 10.0 114.679 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.417 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.9 mmp_? -148.06 156.06 42.2 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 111.673 -2.512 . . . . 10.0 111.204 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -140.56 100.86 3.97 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 109.936 -3.302 . . . . 10.0 111.594 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.25 167.97 20.89 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 114.402 -1.272 . . . . 10.0 112.766 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 140.61 29.85 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 126.089 2.118 . . . . 10.0 111.577 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.489 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 95.2 m -131.57 129.18 40.63 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 112.253 -2.249 . . . . 10.0 113.951 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 151.85 38.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 111.563 -2.562 . . . . 10.0 108.681 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 64' ' ' PHE . 67.1 t -133.14 127.66 54.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.03 0 CA-C-N 113.569 -1.65 . . . . 10.0 108.452 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -133.23 141.79 48.22 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 110.082 -3.236 . . . . 10.0 112.281 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -79.75 113.29 17.79 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.755 2.534 . . . . 10.0 113.34 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -40.97 18.95 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-O 124.565 2.126 . . . . 10.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.88 107.22 1.16 Allowed Glycine 0 C--O 1.208 -1.497 0 CA-C-N 110.92 -2.855 . . . . 10.0 110.705 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.9 m-20 61.4 21.43 12.0 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 126.006 1.651 . . . . 10.0 112.449 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 92.79 0.81 Allowed 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.305 2.253 . . . . 10.0 111.312 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.563 HD22 ' HZ ' ' A' ' 4' ' ' PHE . 4.7 tp -55.42 110.43 0.69 Allowed 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 127.906 3.254 . . . . 10.0 112.479 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -111.03 125.17 53.46 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 114.495 1.294 . . . . 10.0 114.495 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.413 ' SG ' HG22 ' A' ' 86' ' ' VAL . 5.0 m -121.83 137.06 54.92 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 126.8 2.563 . . . . 10.0 109.492 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.5 145.77 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 O-C-N 128.195 3.435 . . . . 10.0 109.705 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -111.57 102.34 10.68 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 128.095 3.372 . . . . 10.0 108.848 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -36.8 -38.28 0.17 Allowed 'General case' 0 C--O 1.21 -1.02 0 O-C-N 129.063 3.977 . . . . 10.0 112.446 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -9.28 -101.41 0.0 OUTLIER Glycine 0 CA--C 1.5 -0.894 1 O-C-N 130.744 5.028 . . . . 10.0 115.395 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -174.97 -46.39 0.01 OUTLIER 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.187 0.517 . . . . 10.0 111.855 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' CA ' ' HE3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -40.05 130.13 2.13 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 125.99 2.056 . . . . 10.0 112.735 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.83 109.53 18.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.37 -1.286 . . . . 10.0 110.331 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.39 -16.01 7.15 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.363 -1.744 . . . . 10.0 109.214 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.85 128.17 34.61 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 113.556 -1.322 . . . . 10.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.15 110.97 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 113.336 -1.756 . . . . 10.0 112.566 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.405 ' NE1' ' HG2' ' A' ' 119' ' ' MET . 2.4 m0 -66.13 160.14 24.68 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 124.454 2.074 . . . . 10.0 114.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.28 142.8 22.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.397 -3.092 . . . . 10.0 108.536 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -128.24 -170.22 2.21 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 110.433 -3.076 . . . . 10.0 111.924 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -163.81 -63.85 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 123.635 1.683 . . . . 10.0 113.431 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.491 HG23 HD21 ' A' ' 115' ' ' LEU . 42.1 mt 70.81 106.93 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-N 113.622 -1.626 . . . . 10.0 110.997 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.08 -32.15 8.84 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 111.311 -2.677 . . . . 10.0 114.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.66 110.95 3.47 Favored Glycine 0 C--O 1.22 -0.746 0 O-C-N 128.05 3.344 . . . . 10.0 109.999 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 75.61 35.16 0.55 Allowed 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.291 2.995 . . . . 10.0 110.047 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 154.94 126.52 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.749 1 O-C-N 129.736 4.398 . . . . 10.0 111.912 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.491 HD21 HG23 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -111.23 166.91 10.69 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 126.242 2.214 . . . . 10.0 107.173 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -151.8 103.41 2.93 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 127.87 3.231 . . . . 10.0 111.325 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.696 HD23 ' HZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -104.44 136.09 44.65 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 126.702 2.501 . . . . 10.0 108.866 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -109.53 85.51 2.12 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 125.515 1.76 . . . . 10.0 111.337 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.484 ' CG ' HD11 ' A' ' 117' ' ' LEU . 4.9 mtm -74.15 127.21 32.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 O-C-N 125.711 1.882 . . . . 10.0 109.074 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 7.2 mtm180 -138.55 150.21 46.11 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.59 -3.005 . . . . 10.0 111.75 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.633 ' O ' HG22 ' A' ' 124' ' ' VAL . . . 173.85 122.22 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.158 2.787 . . . . 10.0 110.297 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 79.9 0.37 2.11 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 124.911 1.382 . . . . 10.0 113.579 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 114.61 -1.98 23.34 Favored Glycine 0 C--O 1.218 -0.888 0 O-C-N 126.342 2.276 . . . . 10.0 114.849 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 121' ' ' ALA . 33.9 m -88.0 172.8 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-O 124.068 1.889 . . . . 10.0 110.013 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -143.99 87.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 111.017 -2.811 . . . . 10.0 114.071 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.2 129.26 40.87 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 126.678 2.486 . . . . 10.0 109.745 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.21 126.56 39.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 112.07 -2.332 . . . . 10.0 112.862 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.544 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 31.3 mt-30 -116.51 91.96 3.74 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-N 111.463 -2.608 . . . . 10.0 107.919 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 129' ' ' VAL . 0.3 OUTLIER -79.27 90.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 127.103 2.752 . . . . 10.0 108.919 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.696 ' HZ ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -84.81 -175.69 5.89 Favored 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 127.192 2.808 . . . . 10.0 109.576 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -145.63 132.21 19.84 Favored 'General case' 0 CA--C 1.5 -0.97 0 O-C-N 125.723 1.89 . . . . 10.0 111.372 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -83.22 132.91 35.03 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 127.403 2.94 . . . . 10.0 108.991 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.4 t -90.48 -15.79 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 114.703 -1.135 . . . . 10.0 112.102 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.1 t60 . . . . . 0 C--O 1.259 1.571 0 CA-C-O 117.339 -1.315 . . . . 10.0 110.341 -179.856 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--O 1.213 -0.831 0 CA-C-O 121.797 0.808 . . . . 10.0 112.239 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 42' ' ' ILE . 6.3 m-85 -78.54 -46.14 20.19 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 111.267 -2.697 . . . . 10.0 109.048 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -40.24 146.17 0.14 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 128.219 3.449 . . . . 10.0 113.104 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.513 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 134.5 -110.57 0.86 Allowed Glycine 0 C--N 1.342 0.894 0 CA-C-N 109.896 -3.32 . . . . 10.0 114.93 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.455 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -153.8 125.44 7.64 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 116.178 -2.209 . . . . 10.0 112.834 -179.689 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.648 ' CE3' ' HA ' ' A' ' 41' ' ' GLU 0.277 0.9 OUTLIER -117.87 127.33 53.76 Favored 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 130.505 4.878 . . . . 10.0 113.999 -178.312 . . . . . . . . 5 4 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -133.4 147.95 51.78 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 125.133 1.521 . . . . 10.0 107.543 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttt -76.16 146.48 39.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 123.507 1.623 . . . . 10.0 114.695 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.422 HD13 ' HD2' ' A' ' 131' ' ' LYS . 5.3 tp -120.86 -42.14 2.52 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 111.742 -2.481 . . . . 10.0 114.049 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -173.93 171.61 3.63 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 125.687 1.867 . . . . 10.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 137.67 50.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.541 -1.663 . . . . 10.0 108.333 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.69 -54.23 3.86 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 126.029 2.081 . . . . 10.0 113.646 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -152.19 41.19 0.64 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.091 -1.413 . . . . 10.0 110.407 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.861 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -76.09 -23.64 55.0 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-O 122.557 1.17 . . . . 10.0 112.452 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -71.63 -43.26 66.45 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 112.506 -2.134 . . . . 10.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -75.23 -27.18 59.4 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.087 1.422 . . . . 10.0 111.059 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.74 -44.51 96.02 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 113.241 -1.799 . . . . 10.0 113.988 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.861 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 19.6 mt -60.32 -22.01 62.7 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.546 1.641 . . . . 10.0 113.612 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -33.01 74.93 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 125.874 2.75 . . . . 10.0 114.147 -179.702 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.94 85.46 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.452 -2.158 . . . . 10.0 115.557 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.636 ' HB2' HG23 ' A' ' 25' ' ' VAL . 1.7 mt -91.77 14.53 15.12 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.611 1.196 . . . . 10.0 112.662 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 55.43 35.56 25.3 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 124.23 1.967 . . . . 10.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 23' ' ' LEU . 69.4 t -66.51 134.49 29.9 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.07 0 CA-C-N 111.655 -2.52 . . . . 10.0 108.044 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -46.58 161.18 0.06 Allowed 'General case' 0 C--O 1.214 -0.795 0 O-C-N 125.918 2.011 . . . . 10.0 114.545 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.16 -32.58 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 0 O-C-N 125.307 1.629 . . . . 10.0 110.215 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.4 73.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 126.232 2.207 . . . . 10.0 114.73 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -31.6 61.07 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-N 113.708 -1.587 . . . . 10.0 112.32 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -75.05 -31.5 61.31 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.489 -1.232 . . . . 10.0 109.461 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -68.19 -39.15 82.57 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.975 -2.375 . . . . 10.0 112.073 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 mt -71.72 -29.28 33.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 CA-C-N 111.316 -2.674 . . . . 10.0 112.524 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.99 63.55 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 111.946 -2.388 . . . . 10.0 114.746 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -66.36 -20.97 66.22 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.881 -1.509 . . . . 10.0 114.154 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.69 -1.19 12.17 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 126.031 2.082 . . . . 10.0 114.182 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 32' ' ' ILE . 1.8 mm? -99.82 143.67 29.77 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 126.886 2.616 . . . . 10.0 114.069 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.77 86.06 3.92 Favored Pre-proline 0 C--O 1.209 -1.068 0 O-C-N 126.834 2.584 . . . . 10.0 108.77 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -78.22 173.05 14.44 Favored 'Trans proline' 0 CA--C 1.506 -0.921 0 O-C-N 128.074 3.671 . . . . 10.0 110.544 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 54' ' ' LEU . 5.5 m-20 -122.53 138.61 54.51 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 111.655 -2.521 . . . . 10.0 108.964 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -94.48 168.69 10.71 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 114.464 -1.244 . . . . 10.0 110.688 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.648 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 24.8 tt0 -151.64 89.5 1.49 Allowed 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 128.674 3.734 . . . . 10.0 111.662 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 4' ' ' PHE . 23.3 mm -76.81 159.2 5.19 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-O 123.203 1.478 . . . . 10.0 109.934 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 43' ' ' VAL . 54.2 t -151.43 90.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-O 123.998 1.856 . . . . 10.0 113.352 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -76.33 126.96 31.93 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 110.774 -2.921 . . . . 10.0 109.723 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -110.48 -71.91 0.74 Allowed 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 124.186 1.946 . . . . 10.0 110.849 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.0 102.71 0.19 Allowed Glycine 0 C--O 1.221 -0.704 0 N-CA-C 108.589 -1.805 . . . . 10.0 108.589 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 82.21 17.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 129.045 3.438 . . . . 10.0 108.751 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -151.71 176.52 11.31 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 125.43 1.706 . . . . 10.0 108.561 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.4 ttm -168.91 122.98 0.84 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-N 110.985 -2.825 . . . . 10.0 114.379 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.82 129.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 O-C-N 126.495 2.372 . . . . 10.0 108.553 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -112.5 112.33 40.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 110.357 -3.11 . . . . 10.0 112.38 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' HG3' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -112.76 143.19 44.41 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 125.473 2.558 . . . . 10.0 111.574 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -126.41 117.33 22.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 110.995 -2.82 . . . . 10.0 108.086 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -114.73 105.51 13.12 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.967 -1.924 . . . . 10.0 113.672 -179.504 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -123.96 179.64 4.76 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 112.852 -1.976 . . . . 10.0 109.531 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -93.4 -10.89 33.65 Favored 'General case' 0 CA--C 1.507 -0.7 0 O-C-N 127.238 2.836 . . . . 10.0 108.78 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -94.17 -28.14 15.82 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.304 -1.358 . . . . 10.0 113.276 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 175.7 156.07 0.2 Allowed 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 124.235 1.969 . . . . 10.0 111.917 179.617 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -108.5 104.89 14.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.694 -2.957 . . . . 10.0 111.396 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.24 128.98 39.44 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.168 -0.924 . . . . 10.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 62' ' ' MET . 3.0 mm -121.24 162.41 20.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 O-C-N 124.604 1.19 . . . . 10.0 112.509 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.533 ' N ' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER 177.46 129.3 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 114.737 -1.12 . . . . 10.0 109.796 -179.541 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.85 113.95 27.86 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.19 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -97.91 112.0 24.09 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 124.574 2.131 . . . . 10.0 115.278 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -103.96 119.19 38.4 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 112.96 -1.927 . . . . 10.0 108.693 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.83 125.21 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 CA-C-N 111.583 -2.553 . . . . 10.0 114.221 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.56 90.13 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.801 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -106.73 136.88 45.79 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 113.551 -1.324 . . . . 10.0 107.911 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.14 120.61 41.02 Favored 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 127.595 3.059 . . . . 10.0 109.138 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -136.8 161.85 34.85 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 125.935 2.022 . . . . 10.0 112.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.67 149.43 41.94 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 110.883 -2.871 . . . . 10.0 109.086 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -118.31 144.11 46.09 Favored 'General case' 0 C--O 1.209 -1.035 1 O-C-N 129.268 4.105 . . . . 10.0 110.248 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -121.23 95.36 4.66 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 111.332 -2.667 . . . . 10.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD13 HH22 ' A' ' 104' ' ' ARG . 7.6 mt -94.05 56.23 2.21 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 125.856 1.973 . . . . 10.0 111.204 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.1 p -95.23 119.89 34.52 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 109.419 -3.537 . . . . 10.0 109.096 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.77 -10.7 12.26 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 108.428 -1.869 . . . . 10.0 108.428 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.1 -67.9 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 113.519 -1.34 . . . . 10.0 111.647 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -114.21 -32.65 5.92 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 127.385 2.928 . . . . 10.0 113.127 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 80.25 79.21 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 124.546 2.117 . . . . 10.0 109.369 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -177.63 176.54 1.24 Allowed 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 112.466 -2.152 . . . . 10.0 109.98 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 5.0 mtpp -138.29 153.81 49.04 Favored 'General case' 0 CA--C 1.497 -1.08 0 C-N-CA 118.16 -1.416 . . . . 10.0 112.25 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 p -144.28 165.89 26.6 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 124.68 2.181 . . . . 10.0 113.08 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.2 mtt -105.7 119.88 40.27 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 111.554 -2.566 . . . . 10.0 109.83 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -108.01 144.45 35.31 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.417 -1.265 . . . . 10.0 113.568 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.76 123.11 11.62 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.871 3.232 . . . . 10.0 109.622 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 50.0 t -98.85 117.59 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 123.931 1.824 . . . . 10.0 112.776 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 t -130.78 78.0 1.82 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.22 -2.718 . . . . 10.0 111.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 0.1 OUTLIER -48.07 146.38 2.62 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 110.488 -3.051 . . . . 10.0 110.498 179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.58 96.17 3.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 124.829 2.252 . . . . 10.0 111.866 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.57 -122.17 9.24 Favored Glycine 0 N--CA 1.471 1.016 0 CA-C-N 110.872 -2.876 . . . . 10.0 110.988 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.35 2.94 48.81 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 124.428 1.091 . . . . 10.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -116.29 150.31 37.83 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 124.716 2.198 . . . . 10.0 111.869 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 105.07 11.63 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 112.224 -2.262 . . . . 10.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -97.12 150.32 20.98 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 127.958 3.286 . . . . 10.0 112.891 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.0 m -144.48 121.3 11.25 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 112.982 -1.917 . . . . 10.0 113.438 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.73 136.43 56.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 112.449 -2.16 . . . . 10.0 110.43 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.473 ' HG3' ' HA2' ' A' ' 105' ' ' GLY . 2.9 mt-30 -121.43 137.7 54.6 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 114.777 -1.101 . . . . 10.0 108.968 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -111.46 83.14 1.72 Allowed 'General case' 0 C--O 1.21 -0.997 0 O-C-N 128.233 3.458 . . . . 10.0 112.858 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.61 -68.51 1.31 Allowed Glycine 0 C--O 1.211 -1.329 0 CA-C-N 110.625 -2.989 . . . . 10.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 175.02 -41.85 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 124.71 2.195 . . . . 10.0 110.275 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -75.69 152.47 37.51 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 111.916 -2.402 . . . . 10.0 108.864 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -93.69 146.25 23.98 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 127.138 2.774 . . . . 10.0 112.415 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.66 46.25 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 110.096 -3.229 . . . . 10.0 112.52 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.401 HH22 HD13 ' A' ' 74' ' ' LEU . 35.8 mtp85 -55.6 114.23 1.77 Allowed 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.123 2.308 . . . . 10.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.473 ' HA2' ' HG3' ' A' ' 97' ' ' GLN . . . 140.11 146.51 4.85 Favored Glycine 0 C--O 1.219 -0.809 0 N-CA-C 108.346 -1.901 . . . . 10.0 108.346 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.54 168.45 16.37 Favored 'General case' 0 C--O 1.208 -1.129 0 CA-C-O 122.574 1.178 . . . . 10.0 113.703 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.4 m -128.48 146.43 50.82 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 110.389 -3.096 . . . . 10.0 108.993 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.34 134.93 53.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 129.006 3.941 . . . . 10.0 110.344 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -157.88 106.09 2.02 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.574 -2.103 . . . . 10.0 113.462 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.94 142.41 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-N 111.157 -2.747 . . . . 10.0 109.923 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -124.08 70.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.084 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.15 -90.64 1.11 Allowed Glycine 0 N--CA 1.471 0.994 0 CA-C-O 123.247 1.471 . . . . 10.0 113.722 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.37 26.14 10.69 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.386 -0.907 . . . . 10.0 109.564 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -138.04 124.54 20.77 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 123.171 1.462 . . . . 10.0 112.436 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.6 tp -96.88 80.38 3.01 Favored 'General case' 0 CA--C 1.493 -1.228 0 CA-C-N 114.546 -1.206 . . . . 10.0 110.802 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 24.1 t60 -90.3 150.64 21.83 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 125.634 2.635 . . . . 10.0 114.523 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -153.01 151.82 30.7 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 111.988 -2.369 . . . . 10.0 110.192 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -112.56 116.52 30.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.531 -1.668 . . . . 10.0 110.126 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 mtt -102.25 159.43 15.41 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 113.995 -1.457 . . . . 10.0 108.589 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -155.18 139.33 16.52 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 113.819 -1.537 . . . . 10.0 111.705 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -158.55 115.57 2.82 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.066 2.104 . . . . 10.0 113.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 63.45 25.84 14.65 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.402 -3.09 . . . . 10.0 114.032 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.35 59.74 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 118.711 -1.709 . . . . 10.0 112.928 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.4 t -104.23 138.34 29.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -105.98 131.57 53.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 124.528 1.143 . . . . 10.0 113.145 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.96 127.05 9.06 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 125.591 1.807 . . . . 10.0 109.314 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 111.52 11.99 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 125.896 1.998 . . . . 10.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -76.2 145.84 39.54 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 112.429 -2.169 . . . . 10.0 107.701 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.79 84.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 O-C-N 126.744 2.527 . . . . 10.0 113.413 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -81.48 149.75 28.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 110.757 -2.929 . . . . 10.0 108.529 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.422 ' HD2' HD13 ' A' ' 11' ' ' LEU . 8.1 mttt -113.33 139.59 48.73 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 127.518 3.011 . . . . 10.0 112.577 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -80.85 122.91 27.8 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 112.432 -2.167 . . . . 10.0 111.218 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -95.64 -7.89 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 113.142 -1.845 . . . . 10.0 109.329 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.235 -1.348 . . . . 10.0 111.947 -179.783 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 CA--C 1.51 -0.579 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -112.89 2.54 15.91 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.658 1.355 . . . . 10.0 114.658 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -69.61 131.94 45.42 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 117.927 -1.509 . . . . 10.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.36 -170.69 39.64 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 117.774 -2.155 . . . . 10.0 111.693 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -115.63 91.02 3.47 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 128.024 2.838 . . . . 10.0 108.415 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 130' ' ' PHE . 5.3 m0 -86.65 151.93 23.01 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.314 -1.766 . . . . 10.0 109.004 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 4.1 ptmt 173.93 157.53 0.14 Allowed 'General case' 0 C--O 1.213 -0.851 0 O-C-N 127.452 2.97 . . . . 10.0 113.76 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.9 ttm 65.98 86.67 0.13 Allowed 'General case' 0 CA--C 1.497 -1.076 0 CA-C-O 124.563 2.125 . . . . 10.0 115.362 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -112.39 101.68 9.86 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.355 -2.202 . . . . 10.0 109.836 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t -48.74 94.93 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 111.514 -2.585 . . . . 10.0 109.632 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LEU . 32.4 m120 -44.71 131.68 6.76 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.415 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -148.96 111.67 4.8 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 127.159 2.787 . . . . 10.0 111.214 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 61.53 23.42 13.7 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-O 125.112 2.387 . . . . 10.0 110.328 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.53 -39.33 62.42 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 109.295 -3.593 . . . . 10.0 113.565 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.9 -29.98 39.99 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 113.346 -1.752 . . . . 10.0 109.409 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -74.49 -20.27 60.06 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 124.461 2.077 . . . . 10.0 110.523 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -78.06 -24.43 47.71 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 111.618 -2.537 . . . . 10.0 112.79 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.45 ' HB3' HG12 ' A' ' 25' ' ' VAL . 89.9 mt -73.43 -26.62 61.03 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.872 -1.058 . . . . 10.0 112.931 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.58 -23.0 58.68 Favored 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.377 2.923 . . . . 10.0 112.622 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -27.08 64.73 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.634 1.683 . . . . 10.0 111.296 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.62 8.97 33.39 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 113.843 -1.526 . . . . 10.0 113.664 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 51.92 64.82 1.7 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 114.05 -1.432 . . . . 10.0 114.386 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -112.7 152.43 14.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 114.788 -1.096 . . . . 10.0 109.237 179.812 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -34.45 134.67 0.2 Allowed 'General case' 0 N--CA 1.474 0.748 1 O-C-N 130.027 4.579 . . . . 10.0 111.532 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -22.29 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 O-C-N 126.856 2.597 . . . . 10.0 113.801 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.26 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 110.549 -3.023 . . . . 10.0 113.231 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -23.88 63.49 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 125.048 2.356 . . . . 10.0 113.032 179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -79.8 -28.09 40.27 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 111.548 -2.569 . . . . 10.0 110.497 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.24 67.02 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 125.181 2.42 . . . . 10.0 114.239 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.497 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -74.69 -35.23 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-N 111.362 -2.654 . . . . 10.0 114.172 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -27.1 66.22 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.151 -2.295 . . . . 10.0 114.986 -179.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.57 -24.25 63.67 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 123.475 1.607 . . . . 10.0 112.169 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.05 17.64 17.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 123.172 1.463 . . . . 10.0 113.285 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 36' ' ' LEU . 11.2 tp -101.03 92.06 4.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.983 -1.917 . . . . 10.0 114.028 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -103.22 109.27 61.33 Favored Pre-proline 0 N--CA 1.476 0.858 0 CA-C-N 110.723 -2.944 . . . . 10.0 106.632 179.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.283 0.0 OUTLIER -112.25 -168.13 0.02 OUTLIER 'Trans proline' 0 CA--C 1.492 -1.579 0 C-N-CA 121.698 1.599 . . . . 10.0 114.732 -178.59 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 9' ' ' LYS . 11.1 p-10 -133.55 170.63 15.23 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 112.461 -2.154 . . . . 10.0 108.015 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -146.53 142.02 27.6 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 112.183 -2.28 . . . . 10.0 111.498 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.93 92.5 3.55 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.401 -2.181 . . . . 10.0 111.728 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.51 135.05 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-N 111.534 -2.575 . . . . 10.0 109.744 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.8 101.08 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 O-C-N 128.168 3.418 . . . . 10.0 113.147 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -96.97 116.85 29.93 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 122.033 0.92 . . . . 10.0 112.549 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.14 -10.16 16.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 113.212 -1.813 . . . . 10.0 111.55 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.05 118.54 3.83 Favored Glycine 0 N--CA 1.446 -0.672 0 O-C-N 126.329 2.268 . . . . 10.0 109.08 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 60.22 27.83 17.37 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 127.5 2.53 . . . . 10.0 108.046 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -170.59 129.11 0.82 Allowed 'General case' 0 C--O 1.209 -1.04 0 O-C-N 127.392 2.932 . . . . 10.0 111.236 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -143.93 106.97 4.5 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 113.649 -1.614 . . . . 10.0 112.954 179.646 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.36 110.72 20.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 123.617 1.675 . . . . 10.0 109.746 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.419 HD12 ' HB2' ' A' ' 64' ' ' PHE . 2.4 mt -101.78 111.04 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 CA-C-O 124.527 2.108 . . . . 10.0 108.603 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -110.39 119.4 39.07 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-N 112.961 -1.927 . . . . 10.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -107.2 121.48 44.62 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 111.573 -2.558 . . . . 10.0 108.67 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.8 mt -112.23 64.38 0.63 Allowed 'General case' 0 C--O 1.211 -0.957 0 CA-C-O 123.484 1.612 . . . . 10.0 114.458 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.3 p -68.16 -18.11 64.52 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 113.347 -1.751 . . . . 10.0 110.401 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m 63.62 19.42 11.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.699 -1.137 . . . . 10.0 109.525 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 3.0 t80 -120.23 1.81 10.82 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 126.902 2.626 . . . . 10.0 113.328 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 170.67 -32.27 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.167 0 O-C-N 126.974 2.672 . . . . 10.0 113.026 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m120 71.63 99.88 0.07 Allowed 'General case' 0 CA--C 1.495 -1.154 2 O-C-N 131.208 5.317 . . . . 10.0 114.464 176.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' C ' HD12 ' A' ' 61' ' ' ILE . 13.8 t80 -115.39 141.29 48.24 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 118.795 -1.162 . . . . 10.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.583 HD12 ' C ' ' A' ' 60' ' ' TYR . 4.9 mp -144.19 152.62 15.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 114.389 -1.278 . . . . 10.0 112.494 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.495 ' N ' HG22 ' A' ' 61' ' ' ILE . 2.1 mtm -153.57 158.4 41.15 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.456 2.973 . . . . 10.0 110.213 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.87 39.1 2.09 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 111.707 -2.497 . . . . 10.0 113.456 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.419 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -27.34 110.33 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 128.702 3.751 . . . . 10.0 114.245 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.64 136.05 54.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.98 1.847 . . . . 10.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.78 131.51 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.136 0 CA-C-N 110.231 -3.168 . . . . 10.0 113.424 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.45 29.36 60.53 Favored Glycine 0 C--O 1.209 -1.447 0 CA-C-N 114.857 -1.065 . . . . 10.0 113.933 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -93.69 -45.68 7.59 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.754 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 78.52 106.17 0.07 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 127.424 2.953 . . . . 10.0 109.5 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 18.6 p90 -141.82 172.56 12.52 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 112.031 -2.349 . . . . 10.0 113.608 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -91.78 132.05 36.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 124.217 1.961 . . . . 10.0 110.506 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -106.3 80.06 1.45 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 112.051 -2.34 . . . . 10.0 111.068 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.89 113.52 2.83 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 123.234 1.492 . . . . 10.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 tp -102.31 61.47 0.85 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 124.67 2.176 . . . . 10.0 111.775 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 143.35 30.09 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 110.513 -3.04 . . . . 10.0 109.001 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.11 -3.47 64.41 Favored Glycine 0 C--O 1.209 -1.439 0 O-C-N 126.836 2.585 . . . . 10.0 108.741 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.25 -67.29 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 112.059 -2.071 . . . . 10.0 108.786 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -140.55 9.42 2.23 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 113.577 -1.647 . . . . 10.0 114.735 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 45.08 75.75 0.1 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 124.455 2.074 . . . . 10.0 111.345 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -152.43 128.71 10.54 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 112.658 -2.065 . . . . 10.0 108.729 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -102.51 131.9 48.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 126.218 2.199 . . . . 10.0 108.721 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.6 m -143.01 134.16 25.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 127.415 2.947 . . . . 10.0 114.938 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.436 ' HB2' ' CB ' ' A' ' 98' ' ' LYS . 19.9 mtt -69.09 159.33 33.09 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 112.677 -2.056 . . . . 10.0 108.769 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 159.57 42.57 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 127.442 2.964 . . . . 10.0 114.076 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.05 158.4 36.4 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.31 -1.768 . . . . 10.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -140.24 116.36 8.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.087 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.2 m -126.96 101.85 6.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 112.216 -2.266 . . . . 10.0 111.896 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 165.58 22.02 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 126.197 2.186 . . . . 10.0 112.233 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.86 -51.48 2.36 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 108.896 -3.774 . . . . 10.0 109.727 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.76 -92.51 0.08 OUTLIER Glycine 0 C--O 1.209 -1.432 0 CA-C-N 111.859 -2.428 . . . . 10.0 113.702 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -44.29 96.9 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 123.65 1.691 . . . . 10.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 176.32 5.86 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 112.821 -1.991 . . . . 10.0 111.245 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.2 122.18 7.07 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 110.778 -2.919 . . . . 10.0 108.461 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.819 ' HB3' HG23 ' A' ' 107' ' ' THR . 0.3 OUTLIER -127.41 167.97 15.49 Favored 'General case' 0 CA--C 1.495 -1.157 0 O-C-N 128.849 3.843 . . . . 10.0 110.658 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.53 176.65 8.43 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.542 -2.572 . . . . 10.0 111.436 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.3 t -151.98 139.59 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 O-C-N 127.744 3.153 . . . . 10.0 109.002 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 104' ' ' ARG . 71.3 mt-30 -107.2 126.52 52.51 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 111.873 -2.421 . . . . 10.0 108.705 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.436 ' CB ' ' HB2' ' A' ' 83' ' ' MET . 46.7 mttt -104.97 81.55 1.75 Allowed 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 111.387 -2.642 . . . . 10.0 112.139 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.24 -103.87 1.94 Allowed Glycine 0 C--N 1.348 1.202 0 CA-C-N 110.26 -3.155 . . . . 10.0 113.874 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -161.03 -45.11 0.04 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 111.514 -2.343 . . . . 10.0 114.979 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -98.68 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 124.226 0.954 . . . . 10.0 111.474 179.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -178.18 166.85 1.96 Allowed 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 122.979 1.371 . . . . 10.0 112.593 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.13 38.51 67.0 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 109.563 -3.472 . . . . 10.0 114.567 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.439 ' CB ' ' HB2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -95.98 153.89 17.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.26 165.49 20.31 Favored Glycine 0 CA--C 1.493 -1.291 0 O-C-N 127.372 2.92 . . . . 10.0 109.536 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.62 2.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 123.593 1.663 . . . . 10.0 111.722 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.819 HG23 ' HB3' ' A' ' 94' ' ' GLN . 38.1 m -158.37 135.1 9.64 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.244 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.447 ' CG ' HD11 ' A' ' 115' ' ' LEU . 2.5 tt0 -110.82 144.76 39.32 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 113.811 -1.54 . . . . 10.0 108.213 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -158.74 95.8 1.33 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.022 -2.353 . . . . 10.0 112.983 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.556 ' HA ' HD22 ' A' ' 115' ' ' LEU . 6.4 mt -62.69 132.76 28.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 128.42 3.575 . . . . 10.0 113.197 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -141.12 81.56 1.79 Allowed 'General case' 0 C--O 1.219 -0.538 0 O-C-N 126.516 2.385 . . . . 10.0 114.085 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.18 -122.59 9.87 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 113.626 -1.625 . . . . 10.0 110.208 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.88 21.43 10.59 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 123.084 1.421 . . . . 10.0 112.376 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.52 123.05 11.08 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 113.348 -1.751 . . . . 10.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 116' ' ' HIS . 2.3 tm? -92.67 133.76 35.69 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.748 ' N ' HD13 ' A' ' 115' ' ' LEU . 7.8 t60 -98.37 107.83 20.39 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 128.081 3.363 . . . . 10.0 111.947 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.7 tp -112.46 134.32 54.05 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 112.245 -2.252 . . . . 10.0 114.524 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.45 106.08 6.88 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 113.772 -1.558 . . . . 10.0 110.322 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 mtt -107.39 124.24 49.54 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 112.771 -2.013 . . . . 10.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 81.6 mtt180 -112.13 162.65 15.2 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 125.415 1.697 . . . . 10.0 108.834 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 179.82 116.49 0.05 Allowed 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 125.618 1.824 . . . . 10.0 114.373 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.29 23.38 5.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 127.645 3.091 . . . . 10.0 114.215 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.43 8.64 59.67 Favored Glycine 0 CA--C 1.501 -0.816 0 CA-C-O 123.092 1.384 . . . . 10.0 112.667 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.32 133.64 66.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-O 122.64 1.21 . . . . 10.0 108.442 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 95.4 m -99.56 124.56 44.87 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 113.752 -1.567 . . . . 10.0 113.55 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.65 136.3 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 128.182 3.426 . . . . 10.0 108.717 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.94 143.73 48.39 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-O 123.011 1.386 . . . . 10.0 112.806 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -127.8 145.25 50.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.408 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.02 62.71 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.096 0 O-C-N 127.234 2.834 . . . . 10.0 114.047 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.789 ' HB3' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.65 139.93 42.99 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.759 -2.473 . . . . 10.0 111.371 -179.482 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.27 1.6 mmpt? -104.06 122.35 45.1 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 109.466 -3.516 . . . . 10.0 112.841 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -81.49 113.64 19.68 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 128.14 3.4 . . . . 10.0 110.109 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.4 HG21 ' HE2' ' A' ' 9' ' ' LYS . 22.2 t -84.01 -51.13 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 111.632 -2.531 . . . . 10.0 112.351 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--O 1.259 1.572 0 O-C-N 124.765 1.291 . . . . 10.0 113.18 179.98 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 4.8 p-10 . . . . . 0 C--O 1.212 -0.876 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' A' ' 42' ' ' ILE . 8.5 m-85 -76.17 -55.1 5.89 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 126.844 2.59 . . . . 10.0 108.778 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 47.0 t-20 -45.62 144.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.807 0 O-C-N 127.703 3.127 . . . . 10.0 113.151 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.514 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 138.0 -108.71 0.64 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 111.75 -2.477 . . . . 10.0 115.08 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.514 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -157.62 128.51 6.56 Favored 'General case' 0 C--O 1.209 -1.063 0 C-N-CA 116.244 -2.183 . . . . 10.0 112.896 -179.285 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HD1' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -127.45 105.28 8.4 Favored 'General case' 0 CA--C 1.502 -0.879 1 O-C-N 130.69 4.994 . . . . 10.0 113.704 -177.667 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -114.53 139.75 49.32 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 118.383 -1.327 . . . . 10.0 107.745 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttm -73.0 139.98 47.02 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.302 2.251 . . . . 10.0 111.981 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -112.63 -43.51 3.46 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 113.372 -1.74 . . . . 10.0 114.558 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -147.58 164.62 32.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 125.889 1.993 . . . . 10.0 113.571 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -125.44 121.13 32.92 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 128.115 3.384 . . . . 10.0 110.334 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -121.86 126.7 49.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.213 -1.812 . . . . 10.0 109.497 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 58.63 30.25 19.63 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 111.429 -2.623 . . . . 10.0 112.997 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.459 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 32.0 t80 -76.9 -26.22 53.91 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 112.415 -2.175 . . . . 10.0 113.231 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.74 -35.75 38.33 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 112.305 -2.225 . . . . 10.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.16 -31.26 60.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.977 -1.465 . . . . 10.0 113.005 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -75.18 -29.44 60.38 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 110.923 -2.853 . . . . 10.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD22 HG11 ' A' ' 25' ' ' VAL . 11.8 mt -73.23 -27.23 61.48 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.308 -2.678 . . . . 10.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -22.26 57.65 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 110.524 -3.034 . . . . 10.0 109.832 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -65.68 -25.57 67.39 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.914 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.53 5.97 23.64 Favored 'General case' 0 CA--C 1.494 -1.199 0 O-C-N 126.927 2.642 . . . . 10.0 112.562 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.53 42.38 27.38 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 123.381 1.563 . . . . 10.0 114.783 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 20' ' ' LEU . 42.4 t -69.37 128.76 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 111.286 -2.688 . . . . 10.0 112.069 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -47.42 154.37 0.43 Allowed 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.785 3.178 . . . . 10.0 113.364 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 t -66.9 -28.98 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.016 0 O-C-N 126.814 2.571 . . . . 10.0 115.356 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -73.48 -34.92 65.58 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 124.334 2.016 . . . . 10.0 113.779 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.0 -33.74 44.68 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 112.139 -2.3 . . . . 10.0 114.769 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.83 -22.2 59.86 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.85 1.786 . . . . 10.0 111.988 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -75.67 -48.06 23.64 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 109.684 -3.416 . . . . 10.0 110.043 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 28' ' ' ALA . 9.6 mt -65.77 -37.81 80.79 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 125.481 1.738 . . . . 10.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -73.5 -20.14 60.75 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 125.924 2.015 . . . . 10.0 113.82 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -65.44 -29.65 70.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 111.179 -2.737 . . . . 10.0 113.8 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.74 8.4 22.49 Favored 'General case' 0 C--O 1.209 -1.075 0 O-C-N 126.261 2.225 . . . . 10.0 111.265 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.02 130.75 48.66 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-N 111.203 -2.726 . . . . 10.0 113.441 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.29 79.32 37.05 Favored Pre-proline 0 CA--C 1.501 -0.915 0 CA-C-O 124.167 1.937 . . . . 10.0 109.32 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 5.2 Cg_endo -66.05 134.4 36.79 Favored 'Trans proline' 0 C--O 1.211 -0.861 0 CA-C-N 110.932 -2.203 . . . . 10.0 113.362 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.14 135.13 33.99 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 109.298 -3.592 . . . . 10.0 107.279 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -89.98 175.12 7.31 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 125.894 1.996 . . . . 10.0 114.053 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.653 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mt-10 -151.29 95.03 2.1 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 128.667 3.729 . . . . 10.0 112.935 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 4' ' ' PHE . 3.5 mp -86.46 153.43 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.035 0 CA-C-O 124.189 1.947 . . . . 10.0 109.058 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 80.1 t -139.74 84.76 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 CA-C-O 125.322 2.487 . . . . 10.0 111.267 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -74.07 111.66 9.45 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 111.799 -2.455 . . . . 10.0 112.832 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -141.29 74.39 1.46 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 111.539 -2.573 . . . . 10.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.78 -145.45 21.74 Favored Glycine 0 C--O 1.209 -1.457 0 CA-C-N 110.89 -2.868 . . . . 10.0 114.36 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -42.31 -42.63 3.2 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 111.261 -2.47 . . . . 10.0 113.972 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -103.61 171.61 7.26 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 125.196 2.427 . . . . 10.0 114.4 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.8 ttp -143.55 141.92 30.89 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 110.437 -3.074 . . . . 10.0 108.49 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.7 mt -129.83 120.08 49.09 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.015 0 O-C-N 127.147 2.779 . . . . 10.0 111.922 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -100.19 120.29 49.43 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 1 O-C-N 129.837 4.461 . . . . 10.0 112.182 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.639 ' HG3' HD12 ' A' ' 61' ' ' ILE . 2.4 mtt180 -111.27 133.33 53.68 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 128.067 3.354 . . . . 10.0 109.466 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 m -112.86 109.03 18.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 111.866 -2.425 . . . . 10.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.77 93.69 5.69 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 126.522 2.389 . . . . 10.0 109.574 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -116.17 -8.28 11.77 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 113.912 -1.495 . . . . 10.0 113.827 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 79.07 -62.48 0.31 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 128.211 3.444 . . . . 10.0 108.465 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -45.54 -39.91 8.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 127.035 2.709 . . . . 10.0 107.894 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -165.69 150.22 8.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 110.154 -3.203 . . . . 10.0 113.2 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -106.22 124.05 48.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.284 -2.235 . . . . 10.0 111.92 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.699 ' C ' HD13 ' A' ' 61' ' ' ILE . 7.5 t80 -128.45 120.37 26.75 Favored 'General case' 0 C--O 1.209 -1.047 0 O-C-N 125.372 1.67 . . . . 10.0 113.613 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.699 HD13 ' C ' ' A' ' 60' ' ' TYR . 1.6 mm -113.49 151.38 15.35 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 O-C-N 126.281 2.238 . . . . 10.0 112.856 -179.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.1 mtp -148.53 116.76 6.47 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 126.407 2.317 . . . . 10.0 108.28 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.27 96.71 10.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 111.672 -2.513 . . . . 10.0 109.212 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 86' ' ' VAL . 2.7 m-85 -99.3 103.02 14.82 Favored 'General case' 0 CA--C 1.502 -0.873 0 O-C-N 126.674 2.484 . . . . 10.0 113.655 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -99.84 91.31 4.77 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 126.949 2.656 . . . . 10.0 107.937 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG22 HG11 ' A' ' 86' ' ' VAL . 47.7 t -40.42 107.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 CA-C-N 111.917 -2.402 . . . . 10.0 114.301 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 4.92 28.55 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 111.293 -2.685 . . . . 10.0 113.457 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.93 141.07 52.14 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.062 -2.069 . . . . 10.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -97.73 119.41 36.26 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 124.897 2.284 . . . . 10.0 110.579 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.448 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 0.9 OUTLIER -123.41 156.57 35.2 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 110.939 -2.846 . . . . 10.0 110.578 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.16 108.12 19.55 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 110.314 -3.13 . . . . 10.0 110.681 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.4 mt-10 -83.55 113.41 20.8 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 113.314 -1.767 . . . . 10.0 114.154 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.56 116.71 32.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.182 2.176 . . . . 10.0 109.597 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HD12 ' A' ' 77' ' ' ILE . 14.7 mt -102.28 54.55 0.79 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.365 -2.198 . . . . 10.0 114.328 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 3.2 m -76.57 -12.03 59.96 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 126.882 2.614 . . . . 10.0 112.305 -179.516 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.71 14.77 56.18 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 110.492 -3.049 . . . . 10.0 108.978 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.682 HD12 HD22 ' A' ' 74' ' ' LEU . 70.4 mt -133.93 -66.45 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.029 0 O-C-N 126.515 1.95 . . . . 10.0 109.655 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -165.16 53.69 0.11 Allowed 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.805 -1.089 . . . . 10.0 109.824 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 47.8 p30 11.91 75.08 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.928 1 O-C-N 130.01 4.569 . . . . 10.0 114.78 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.71 120.03 28.42 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 110.053 -3.249 . . . . 10.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.38 125.06 50.73 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.934 2.646 . . . . 10.0 113.581 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -144.77 171.36 14.53 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 110.685 -2.961 . . . . 10.0 108.75 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.8 mtt -102.36 126.74 49.47 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 123.981 0.8 . . . . 10.0 110.147 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.448 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 71.7 m -119.85 141.87 49.16 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 112.776 -2.011 . . . . 10.0 113.819 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 86' ' ' VAL . 1.6 m -125.74 163.23 23.3 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.374 -1.284 . . . . 10.0 110.525 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.463 HG11 HG22 ' A' ' 66' ' ' VAL . 90.8 t -138.84 135.49 42.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-O 125.145 2.403 . . . . 10.0 114.307 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -124.93 154.52 41.02 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 109.93 -3.304 . . . . 10.0 111.045 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -121.21 107.92 13.15 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 126.853 2.596 . . . . 10.0 107.993 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.93 -13.99 16.7 Favored 'General case' 0 C--O 1.212 -0.918 0 O-C-N 126.928 2.643 . . . . 10.0 113.253 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.68 -133.11 3.94 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 124.525 1.141 . . . . 10.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -56.65 -43.91 80.78 Favored 'General case' 0 CA--C 1.494 -1.173 0 CA-C-O 126.104 2.859 . . . . 10.0 110.406 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -90.95 128.01 36.62 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 110.908 -2.86 . . . . 10.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.1 127.97 55.73 Favored 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.956 3.285 . . . . 10.0 109.617 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -137.85 158.2 44.85 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.498 1.124 . . . . 10.0 108.545 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 171.77 9.89 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 112.476 -2.147 . . . . 10.0 112.676 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.99 123.26 10.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 127.517 3.011 . . . . 10.0 108.332 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.8 119.81 32.74 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 127.548 3.03 . . . . 10.0 113.488 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -67.77 -174.59 0.46 Allowed 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.06 -2.336 . . . . 10.0 111.495 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 156.44 -145.85 12.9 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 112.893 -1.958 . . . . 10.0 113.31 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.99 28.92 2.3 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 127.513 2.537 . . . . 10.0 114.747 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -131.47 -144.55 0.25 Allowed 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 111.542 -2.572 . . . . 10.0 108.84 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -133.63 142.65 48.18 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 124.615 2.15 . . . . 10.0 111.792 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.76 -85.11 0.69 Allowed Glycine 0 C--O 1.212 -1.251 0 CA-C-N 113.314 -1.767 . . . . 10.0 112.841 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 27.02 89.91 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 O-C-N 129.977 3.986 . . . . 10.0 113.619 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 149.45 8.01 Favored Glycine 0 N--CA 1.465 0.616 0 O-C-N 125.643 1.839 . . . . 10.0 109.033 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.8 149.33 50.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.064 1.345 . . . . 10.0 114.105 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -138.97 137.51 36.45 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 126.141 2.15 . . . . 10.0 109.252 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.494 ' HG3' HD12 ' A' ' 117' ' ' LEU . 28.0 mt-30 -120.93 148.17 44.43 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 126.445 3.022 . . . . 10.0 112.801 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -166.05 99.12 0.64 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 112.697 -2.047 . . . . 10.0 112.481 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 mt -63.81 135.67 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 127.043 2.715 . . . . 10.0 109.605 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.75 -59.12 1.8 Allowed 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.471 1.732 . . . . 10.0 113.411 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.45 -76.01 0.02 OUTLIER Glycine 0 N--CA 1.463 0.439 0 CA-C-N 111.895 -2.412 . . . . 10.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.44 19.74 14.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 124.86 2.267 . . . . 10.0 108.75 -179.781 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -133.62 144.98 49.59 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.623 -1.626 . . . . 10.0 109.784 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.824 HD13 ' HD1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -102.98 47.92 0.87 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 128.016 3.322 . . . . 10.0 112.189 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -23.55 124.41 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.885 3.866 . . . . 10.0 114.137 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' ' 108' ' ' GLN . 13.2 tp -141.67 143.35 33.55 Favored 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 125.699 1.875 . . . . 10.0 113.941 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -134.16 111.88 10.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 110.108 -3.224 . . . . 10.0 113.636 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.0 mtm -109.89 137.83 47.11 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 124.576 1.172 . . . . 10.0 109.69 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 128.44 32.14 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 112.638 -2.073 . . . . 10.0 112.239 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.36 136.7 8.72 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 125.236 1.585 . . . . 10.0 113.656 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.64 20.4 10.33 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.88 -1.963 . . . . 10.0 113.771 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.05 21.3 65.73 Favored Glycine 0 C--O 1.211 -1.314 0 CA-C-N 112.261 -2.245 . . . . 10.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 22' ' ' ALA . 5.2 t -113.34 111.66 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.849 -0.797 . . . . 10.0 108.849 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.1 m -87.33 118.59 26.87 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 128.062 3.351 . . . . 10.0 109.527 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.3 t -116.15 149.65 38.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 124.624 2.154 . . . . 10.0 110.034 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -143.39 139.74 30.13 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 111.426 -2.625 . . . . 10.0 112.777 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -133.54 128.02 34.39 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.821 -1.082 . . . . 10.0 111.656 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.71 100.25 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 O-C-N 127.334 2.896 . . . . 10.0 114.588 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -84.52 175.6 9.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 127.092 2.745 . . . . 10.0 108.657 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.561 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.1 tptm -146.38 113.02 5.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 125.864 1.977 . . . . 10.0 114.192 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 113.73 15.73 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 112.447 -2.16 . . . . 10.0 111.424 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.81 -11.72 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 O-C-N 126.141 2.15 . . . . 10.0 113.455 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--O 1.249 1.078 0 O-C-N 127.083 2.739 . . . . 10.0 110.535 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 113.888 1.07 . . . . 10.0 113.888 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 110' ' ' ILE . 16.9 m-30 -98.63 -9.34 24.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 126.621 2.45 . . . . 10.0 112.685 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -60.59 164.31 4.67 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 126.392 2.308 . . . . 10.0 112.711 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.95 -164.74 12.14 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 107.555 -2.218 . . . . 10.0 107.555 -179.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' HB3' ' CE ' ' A' ' 132' ' ' LYS . 2.4 m-85 -115.49 159.79 20.74 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 110.717 -2.741 . . . . 10.0 110.092 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.601 ' CD1' HD12 ' A' ' 42' ' ' ILE . 22.1 m95 -141.2 99.5 3.59 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 110.192 -3.186 . . . . 10.0 113.822 179.129 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HB3' ' HD3' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -98.49 144.25 28.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 116.905 -1.918 . . . . 10.0 108.006 178.82 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.476 ' HA ' ' CD2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.36 176.69 0.33 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 124.667 2.175 . . . . 10.0 113.863 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.29 -58.87 0.45 Allowed 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 110.056 -3.247 . . . . 10.0 110.461 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.33 163.47 3.76 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 112.014 -2.357 . . . . 10.0 111.7 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -112.03 -177.18 3.11 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 123.592 1.663 . . . . 10.0 113.961 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -175.83 106.16 0.08 Allowed 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 114.403 -1.271 . . . . 10.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t30 77.62 25.05 0.73 Allowed 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.916 -1.947 . . . . 10.0 110.105 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -68.18 -39.22 82.58 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 114.073 -1.421 . . . . 10.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -44.92 73.53 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 112.029 -2.35 . . . . 10.0 113.987 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -20.5 63.88 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 126.28 2.238 . . . . 10.0 114.352 -179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.95 -38.23 57.77 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.606 2.146 . . . . 10.0 111.365 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.11 -36.94 84.49 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 110.943 -2.844 . . . . 10.0 114.248 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -21.82 66.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.86 1.43 . . . . 10.0 114.86 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.14 -22.77 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 126.379 2.299 . . . . 10.0 113.067 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.83 3.35 33.8 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 126.7 2.5 . . . . 10.0 110.736 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 64.82 29.02 12.78 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 127.861 3.226 . . . . 10.0 112.699 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.97 147.59 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.348 2.905 . . . . 10.0 112.508 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.47 157.18 24.06 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 121.742 0.782 . . . . 10.0 112.422 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.33 -38.57 82.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 124.918 1.287 . . . . 10.0 112.637 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.01 97.77 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 123.528 1.632 . . . . 10.0 114.852 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -24.73 62.26 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-N 111.119 -2.764 . . . . 10.0 111.977 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -79.96 -30.45 39.84 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 114.709 -1.132 . . . . 10.0 111.863 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HD12 ' A' ' 35' ' ' LEU . 15.3 ttmm -78.71 -34.3 46.09 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 127.657 3.098 . . . . 10.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -74.54 -31.75 28.28 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.158 0 CA-C-N 114.711 -1.131 . . . . 10.0 109.477 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.11 60.67 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 124.083 1.897 . . . . 10.0 113.299 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.72 -34.7 78.42 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 110.305 -3.134 . . . . 10.0 113.664 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 31' ' ' LYS . 4.3 mt -94.82 0.08 54.56 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 113.255 -1.793 . . . . 10.0 112.176 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' A' ' 57' ' ' PHE . 8.6 mt -112.66 126.11 55.02 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 113.848 -1.524 . . . . 10.0 112.663 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -133.18 65.55 73.43 Favored Pre-proline 0 C--O 1.219 -0.539 0 CA-C-N 113.369 -1.741 . . . . 10.0 108.564 -179.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.08 164.2 17.62 Favored 'Trans proline' 0 CA--C 1.501 -1.139 0 C-N-CA 122.913 2.409 . . . . 10.0 114.007 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.17 126.37 53.57 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 126.434 2.334 . . . . 10.0 109.948 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.47 141.5 28.69 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 124.881 2.277 . . . . 10.0 111.306 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 12.1 tt0 -130.96 120.44 23.54 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.697 -2.501 . . . . 10.0 109.243 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' A' ' 8' ' ' TRP . 14.2 mt -113.86 139.98 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.751 -2.477 . . . . 10.0 111.83 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 50' ' ' ILE . 6.5 t -127.68 115.61 40.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 113.501 -1.681 . . . . 10.0 109.409 -179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -99.81 120.72 40.2 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -115.67 10.27 15.45 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 126.351 2.977 . . . . 10.0 111.477 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.62 -109.56 2.4 Favored Glycine 0 C--O 1.214 -1.146 0 CA-C-N 112.2 -2.273 . . . . 10.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -59.02 -42.06 89.26 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.868 -1.166 . . . . 10.0 109.392 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -86.7 158.61 19.39 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 126.52 2.388 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.5 ttm -166.69 130.7 2.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.444 2.965 . . . . 10.0 110.569 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG22 ' HB ' ' A' ' 43' ' ' VAL . 9.1 tt -113.59 151.18 15.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 113.107 -1.86 . . . . 10.0 109.676 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 119.33 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.804 0 CA-C-N 110.088 -3.233 . . . . 10.0 110.176 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.564 ' HD3' HG23 ' A' ' 61' ' ' ILE . 1.6 mpp_? -99.87 176.18 5.53 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 124.42 1.075 . . . . 10.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -163.67 83.28 0.46 Allowed 'General case' 0 C--O 1.209 -1.071 0 O-C-N 128.327 3.517 . . . . 10.0 108.395 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 54' ' ' LEU . 89.2 mt -79.13 89.27 4.83 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 109.191 -3.641 . . . . 10.0 114.158 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 p -121.35 126.09 48.6 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 111.974 -2.375 . . . . 10.0 108.831 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.99 79.75 0.65 Allowed 'General case' 0 C--O 1.22 -0.493 0 O-C-N 125.233 1.583 . . . . 10.0 109.647 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.534 ' CE2' ' CB ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 173.27 -39.46 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 127.862 3.227 . . . . 10.0 111.201 -179.774 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' PHE . 29.8 ttm-85 -164.72 90.62 0.54 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 126.365 2.291 . . . . 10.0 114.098 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -64.53 124.88 22.98 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.332 -2.667 . . . . 10.0 107.155 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -91.94 -74.29 0.52 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 124.664 2.173 . . . . 10.0 115.268 -178.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG23 ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER 55.82 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.405 1 CA-C-N 108.38 -4.009 . . . . 10.0 112.987 -175.043 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.472 ' H ' HG22 ' A' ' 61' ' ' ILE . 2.0 ptm 176.37 136.57 0.06 Allowed 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.793 -2.458 . . . . 10.0 111.861 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.47 117.53 30.03 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 112.521 -2.127 . . . . 10.0 114.754 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.65 176.97 5.45 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 123.633 1.682 . . . . 10.0 109.858 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.28 133.22 11.45 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 112.023 -2.353 . . . . 10.0 109.324 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.91 128.37 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-O 124.822 2.249 . . . . 10.0 109.642 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.22 -28.5 4.19 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.441 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -80.68 161.39 24.65 Favored 'General case' 0 C--O 1.208 -1.121 0 N-CA-C 113.94 1.089 . . . . 10.0 113.94 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -120.94 116.78 25.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 127.629 3.08 . . . . 10.0 110.109 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 17.7 p90 -136.44 150.56 48.79 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.446 2.341 . . . . 10.0 114.35 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -65.69 148.95 50.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 112.138 -2.301 . . . . 10.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -129.15 158.57 38.61 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 126.839 2.587 . . . . 10.0 112.654 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.78 21.75 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.443 -2.162 . . . . 10.0 110.75 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -109.45 55.87 0.63 Allowed 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.588 2.43 . . . . 10.0 112.442 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 75' ' ' THR . 9.3 t -99.0 127.24 44.88 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 124.127 1.918 . . . . 10.0 112.52 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.25 -13.94 8.34 Favored Glycine 0 C--O 1.21 -1.383 0 CA-C-N 111.419 -2.628 . . . . 10.0 108.966 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 mt -113.46 -61.13 2.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 110.785 -2.707 . . . . 10.0 110.688 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -166.2 29.01 0.04 OUTLIER 'General case' 0 C--N 1.345 0.37 0 C-N-CA 117.939 -1.504 . . . . 10.0 113.463 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 22.91 86.52 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.433 0 O-C-N 127.66 3.1 . . . . 10.0 114.338 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HG2' ' CB ' ' A' ' 74' ' ' LEU . 17.5 ptt85 -140.68 52.93 1.61 Allowed 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 114.529 -1.214 . . . . 10.0 112.071 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -48.56 120.64 3.86 Favored 'General case' 0 CA--C 1.518 -0.273 0 O-C-N 128.097 3.373 . . . . 10.0 111.582 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.56 -178.14 5.04 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 113.16 -1.837 . . . . 10.0 108.682 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtt -102.89 141.04 36.37 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 112.183 -2.28 . . . . 10.0 107.863 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.859 HG23 ' HG2' ' A' ' 97' ' ' GLN . 17.6 m -130.63 147.62 52.33 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 125.964 2.04 . . . . 10.0 111.683 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 m -145.34 140.93 28.07 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.947 -1.933 . . . . 10.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.48 130.84 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 CA-C-O 126.962 3.268 . . . . 10.0 112.057 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.93 -175.65 4.04 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 111.209 -2.723 . . . . 10.0 109.433 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 136.39 44.55 Favored 'General case' 0 CA--C 1.505 -0.779 0 O-C-N 126.879 2.612 . . . . 10.0 112.27 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -19.95 33.26 Favored 'General case' 0 CA--C 1.5 -0.981 0 CA-C-N 112.311 -2.222 . . . . 10.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.35 -70.43 0.46 Allowed Glycine 0 N--CA 1.47 0.962 0 CA-C-N 112.372 -2.195 . . . . 10.0 111.113 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -95.36 -54.34 3.44 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 112.51 -1.845 . . . . 10.0 108.567 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -89.29 153.45 20.88 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 126.646 2.466 . . . . 10.0 111.048 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.48 127.19 52.87 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 110.681 -2.963 . . . . 10.0 110.055 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 129.1 51.89 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 125.81 1.944 . . . . 10.0 111.691 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 t -111.58 102.57 10.89 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.371 3.544 . . . . 10.0 113.103 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 p -100.2 153.99 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 O-C-N 125.537 1.773 . . . . 10.0 112.919 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.859 ' HG2' HG23 ' A' ' 84' ' ' THR . 12.2 mt-30 -119.03 164.74 15.04 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 114.127 -1.397 . . . . 10.0 109.056 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.57 44.05 1.13 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.58 146.3 18.83 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 118.487 -1.816 . . . . 10.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.16 -32.77 49.47 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 124.478 2.085 . . . . 10.0 110.121 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -63.37 160.51 15.91 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 110.525 -3.034 . . . . 10.0 111.713 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.54 146.41 40.51 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 113.347 -1.751 . . . . 10.0 113.653 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.47 -94.5 0.09 OUTLIER Glycine 0 C--N 1.348 1.196 0 CA-C-N 111.809 -2.451 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.59 25.12 4.62 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.56 -1.82 . . . . 10.0 111.086 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.35 141.11 13.09 Favored Glycine 0 N--CA 1.465 0.57 0 CA-C-O 124.923 2.402 . . . . 10.0 112.161 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -100.04 178.76 4.7 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.45 -2.375 . . . . 10.0 112.839 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.6 m -163.91 118.9 1.55 Allowed 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.393 -1.73 . . . . 10.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 162.45 18.58 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 125.703 2.668 . . . . 10.0 109.391 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -148.08 -53.01 0.19 Allowed 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.538 -3.028 . . . . 10.0 114.337 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 4' ' ' PHE . 3.3 mt 73.91 145.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 125.987 2.055 . . . . 10.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -155.26 80.07 1.05 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 123.762 1.744 . . . . 10.0 109.186 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.91 -112.09 3.82 Favored Glycine 0 N--CA 1.474 1.189 0 N-CA-C 107.379 -2.288 . . . . 10.0 107.379 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.4 14.0 14.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 123.185 1.469 . . . . 10.0 113.275 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -110.92 108.44 18.22 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.144 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.457 HD12 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -79.2 110.55 14.56 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.162 1.934 . . . . 10.0 111.788 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -98.35 91.37 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 110.816 -2.902 . . . . 10.0 109.846 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 118' ' ' GLU . 4.8 tp -112.56 131.39 55.63 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 127.191 2.807 . . . . 10.0 112.573 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.624 ' N ' HD12 ' A' ' 117' ' ' LEU . 97.8 mt-10 -119.79 110.42 16.76 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 112.881 -1.963 . . . . 10.0 107.879 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.549 ' HG2' HD11 ' A' ' 117' ' ' LEU . 21.3 mtp -103.33 163.57 12.18 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 113.607 -1.633 . . . . 10.0 114.267 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -150.23 152.62 34.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 111.024 -2.807 . . . . 10.0 108.968 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 179.27 114.72 0.04 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 113.254 -1.794 . . . . 10.0 112.307 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.8 3.75 4.25 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 128.127 3.392 . . . . 10.0 113.088 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 104.94 17.7 13.8 Favored Glycine 0 N--CA 1.467 0.765 0 O-C-N 126.723 2.515 . . . . 10.0 111.307 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.69 119.82 58.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 CA-C-O 124.967 2.318 . . . . 10.0 109.961 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.7 m -91.55 126.6 36.69 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 125.121 2.391 . . . . 10.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.35 144.52 40.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 112.846 -1.979 . . . . 10.0 110.821 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -131.19 148.7 52.74 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 124.084 1.897 . . . . 10.0 110.692 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -124.22 136.95 54.54 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 112.6 -2.091 . . . . 10.0 108.888 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.1 t -117.35 127.44 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.023 0 CA-C-O 125.14 2.4 . . . . 10.0 113.538 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 10' ' ' MET . 66.8 m-85 -118.19 152.91 34.77 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.735 -2.029 . . . . 10.0 109.167 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -155.12 86.46 1.1 Allowed 'General case' 0 C--O 1.207 -1.161 0 O-C-N 125.46 1.725 . . . . 10.0 107.129 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.606 ' HD2' ' N ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -68.62 -147.37 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 O-C-N 129.805 4.441 . . . . 10.0 115.412 -178.772 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.606 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 1.0 OUTLIER -150.09 -49.08 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.128 0 CA-C-N 115.239 -0.891 . . . . 10.0 113.01 -175.067 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.559 ' N ' HG12 ' A' ' 133' ' ' VAL . 12.7 m-70 . . . . . 0 C--O 1.257 1.477 0 CA-C-O 118.001 -1.0 . . . . 10.0 111.968 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 CA--C 1.512 -0.509 0 N-CA-C 113.965 1.098 . . . . 10.0 113.965 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -89.89 -18.14 26.71 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 127.56 3.038 . . . . 10.0 110.174 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.91 151.78 11.08 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 125.629 1.83 . . . . 10.0 111.212 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.11 -165.86 16.88 Favored Glycine 0 C--O 1.214 -1.126 0 CA-C-N 113.392 -1.731 . . . . 10.0 109.785 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -116.35 134.1 55.26 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-N 113.752 -1.224 . . . . 10.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.3 m95 -132.29 113.2 12.94 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 125.298 1.624 . . . . 10.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.593 ' HG2' HG22 ' A' ' 133' ' ' VAL . 14.7 pttt -100.77 149.95 23.3 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 149.1 48.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.094 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -115.56 -56.53 2.33 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 124.978 2.323 . . . . 10.0 114.491 -179.473 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 p -141.88 178.63 7.37 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 110.965 -2.834 . . . . 10.0 109.195 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -132.28 158.64 41.32 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 111.32 -2.673 . . . . 10.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.39 109.58 1.13 Allowed 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 126.029 2.081 . . . . 10.0 113.358 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 23.95 3.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 126.997 2.685 . . . . 10.0 110.181 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.657 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 39.4 t80 -74.76 -40.57 61.15 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 112.876 -1.965 . . . . 10.0 111.962 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.22 -38.39 87.81 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.839 3.212 . . . . 10.0 113.571 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -28.43 62.39 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 179.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.49 -29.57 64.97 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.653 2.47 . . . . 10.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.657 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 93.0 mt -77.38 -33.69 55.14 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.726 1.891 . . . . 10.0 112.854 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -31.1 72.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.729 1.252 . . . . 10.0 113.721 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.0 89.91 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 109.994 -3.276 . . . . 10.0 113.376 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.2 1.08 54.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 113.332 -1.758 . . . . 10.0 110.475 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 56.21 65.48 1.42 Allowed 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 114.34 -1.3 . . . . 10.0 113.138 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.44 138.41 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 111.383 -2.644 . . . . 10.0 108.482 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -52.65 152.11 3.92 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 125.212 1.57 . . . . 10.0 113.936 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.66 -26.15 34.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-O 124.393 2.044 . . . . 10.0 113.559 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.34 60.47 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 110.219 -3.173 . . . . 10.0 110.178 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 tt -75.88 -26.02 56.66 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 110.683 -2.962 . . . . 10.0 109.547 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -79.09 -25.35 43.07 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-N 114.568 -1.196 . . . . 10.0 111.487 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -75.49 -39.77 58.13 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.663 -2.062 . . . . 10.0 109.317 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.4 mt -73.91 -29.19 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-N 111.516 -2.584 . . . . 10.0 112.196 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 16' ' ' PHE . . . -72.24 -22.69 61.2 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 125.263 1.602 . . . . 10.0 112.158 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -22.98 66.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.309 1.596 . . . . 10.0 115.309 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.48 35.19 4.91 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 112.433 -2.167 . . . . 10.0 111.622 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.691 HD21 ' HB2' ' A' ' 57' ' ' PHE . 1.1 tp -124.2 117.24 24.15 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 110.669 -2.969 . . . . 10.0 109.723 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -141.21 67.11 25.86 Favored Pre-proline 0 CA--C 1.5 -0.968 0 O-C-N 127.583 3.052 . . . . 10.0 112.622 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -52.82 164.77 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.31 2.673 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.03 112.17 15.57 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 110.418 -3.083 . . . . 10.0 111.49 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.53 146.29 29.29 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 110.931 -2.85 . . . . 10.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -133.01 104.93 6.78 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 111.478 -2.601 . . . . 10.0 108.726 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.2 mm -91.24 142.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 127.441 2.963 . . . . 10.0 110.766 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' A' ' 50' ' ' ILE . 8.8 p -136.65 49.42 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 O-C-N 126.357 2.285 . . . . 10.0 111.185 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 103.77 0.07 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.858 -2.883 . . . . 10.0 114.148 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -115.61 74.31 0.88 Allowed 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 126.166 2.166 . . . . 10.0 113.573 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.37 -121.89 6.39 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 126.779 2.549 . . . . 10.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -26.04 56.83 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 125.799 2.714 . . . . 10.0 114.142 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.65 146.48 25.28 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.17 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.2 ptm -152.68 144.0 23.25 Favored 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.069 3.356 . . . . 10.0 108.409 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.717 ' HB ' HG12 ' A' ' 43' ' ' VAL . 73.6 mt -118.38 112.55 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-O 125.247 2.451 . . . . 10.0 114.537 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mt -94.86 90.67 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-N 110.424 -3.08 . . . . 10.0 110.479 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.13 167.09 14.79 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 112.502 -2.136 . . . . 10.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.3 m -159.87 86.2 0.77 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.133 1.521 . . . . 10.0 109.05 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.7 mt -90.06 112.52 24.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.025 2.078 . . . . 10.0 113.487 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -155.7 142.12 18.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 111.517 -2.583 . . . . 10.0 109.824 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -63.28 -17.21 62.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 111.175 -2.739 . . . . 10.0 113.877 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.691 ' HB2' HD21 ' A' ' 36' ' ' LEU . 19.6 t80 -81.08 -55.64 4.63 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.145 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -164.75 123.09 1.73 Allowed 'General case' 0 C--N 1.352 0.707 0 CA-C-N 112.595 -2.093 . . . . 10.0 114.792 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.23 171.65 13.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 116.798 -1.961 . . . . 10.0 107.204 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -133.33 -72.47 0.5 Allowed 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 125.311 2.481 . . . . 10.0 114.426 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp 63.6 143.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.489 1 CA-C-N 108.307 -4.042 . . . . 10.0 110.854 -176.027 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 mtt -129.11 -52.6 1.2 Allowed 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 113.106 -1.861 . . . . 10.0 115.294 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.13 61.56 0.74 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 114.711 -1.131 . . . . 10.0 108.603 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -69.37 166.62 18.24 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 112.366 -2.197 . . . . 10.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -156.48 101.7 2.03 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 125.214 1.571 . . . . 10.0 107.951 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -54.28 123.0 4.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 CA-C-N 113.779 -1.555 . . . . 10.0 112.215 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.42 19.56 41.2 Favored Glycine 0 C--O 1.207 -1.547 0 O-C-N 126.029 2.081 . . . . 10.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.39 139.98 50.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 123.223 1.487 . . . . 10.0 113.261 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -106.6 136.99 45.43 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 124.749 2.214 . . . . 10.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -163.19 153.92 16.5 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 124.859 2.266 . . . . 10.0 110.304 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -54.02 160.19 1.58 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 111.318 -2.674 . . . . 10.0 111.826 -179.763 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 8.4 tp10 -148.68 104.82 3.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.279 2.237 . . . . 10.0 112.161 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -103.16 117.43 34.52 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 111.143 -2.753 . . . . 10.0 110.423 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 74' ' ' LEU . 5.9 mp -103.21 46.37 0.92 Allowed 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.833 2.583 . . . . 10.0 112.624 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -92.05 118.7 31.05 Favored 'General case' 0 CA--C 1.495 -1.148 0 O-C-N 126.303 2.252 . . . . 10.0 109.487 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.73 -16.22 7.88 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 113.47 -1.696 . . . . 10.0 109.829 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 77' ' ' ILE . 4.8 mt -105.01 -63.49 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 110.916 -2.642 . . . . 10.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 6.25 2.69 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.539 -2.119 . . . . 10.0 114.534 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.72 82.26 0.11 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 122.95 1.357 . . . . 10.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.02 -174.52 4.97 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.177 -3.192 . . . . 10.0 113.696 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.74 123.66 0.54 Allowed 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 124.332 2.015 . . . . 10.0 112.669 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.7 m -144.48 -175.21 4.55 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 113.82 -1.536 . . . . 10.0 110.024 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.6 mtp -118.68 144.9 45.9 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 127.353 2.908 . . . . 10.0 108.181 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.499 HG22 ' H ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -130.8 166.32 21.07 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 125.141 2.401 . . . . 10.0 113.696 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.499 ' H ' HG22 ' A' ' 84' ' ' THR . 1.3 m -158.26 149.78 21.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 110.754 -2.93 . . . . 10.0 111.636 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.77 143.04 35.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 CA-C-N 111.223 -2.717 . . . . 10.0 108.649 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 m -148.08 84.31 1.52 Allowed 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 114.022 -1.445 . . . . 10.0 113.719 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -56.27 133.32 52.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.933 2.646 . . . . 10.0 108.623 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.3 89.17 2.21 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 124.334 1.054 . . . . 10.0 112.594 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.91 -121.04 5.76 Favored Glycine 0 C--O 1.209 -1.449 0 O-C-N 126.598 2.436 . . . . 10.0 114.118 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -100.24 17.37 21.5 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 112.531 -1.834 . . . . 10.0 114.474 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -133.58 -179.21 5.38 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 125.945 2.783 . . . . 10.0 110.189 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.501 ' C ' HD23 ' A' ' 93' ' ' LEU . 9.6 tt -157.04 114.63 3.14 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 124.933 2.301 . . . . 10.0 112.61 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.17 141.31 43.26 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.943 -1.935 . . . . 10.0 111.891 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.2 m -115.5 89.63 3.15 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 123.916 1.817 . . . . 10.0 110.052 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -89.6 137.15 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 113.995 -1.457 . . . . 10.0 109.064 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.95 146.13 44.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.146 -1.388 . . . . 10.0 109.753 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.32 74.83 0.9 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.582 1.176 . . . . 10.0 109.099 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.79 -161.96 19.08 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-O 125.534 2.741 . . . . 10.0 109.502 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -105.7 119.95 40.44 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 112.091 -2.054 . . . . 10.0 107.53 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.739 ' CG ' ' N ' ' A' ' 102' ' ' GLU . 1.9 ttmt 62.11 169.67 0.12 Allowed 'General case' 0 C--O 1.206 -1.187 0 O-C-N 128.58 3.675 . . . . 10.0 108.012 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.739 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 2.1 mt-10 80.64 108.31 0.07 Allowed 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.366 4.792 . . . . 10.0 108.005 176.514 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -28.77 -43.95 0.04 OUTLIER Glycine 0 N--CA 1.473 1.117 1 O-C-N 131.465 5.478 . . . . 10.0 106.944 178.236 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER 52.0 170.52 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.966 0 O-C-N 127.472 2.513 . . . . 10.0 115.991 177.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.83 111.4 3.18 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 110.317 -3.129 . . . . 10.0 114.358 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -106.47 119.7 39.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 111.301 -2.45 . . . . 10.0 107.459 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 p -112.07 160.69 17.27 Favored 'General case' 0 CA--C 1.494 -1.202 0 O-C-N 126.662 2.476 . . . . 10.0 114.041 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -144.28 129.68 18.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 111.548 -2.569 . . . . 10.0 112.385 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 9.0 t90 -152.82 87.87 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 110.392 -3.095 . . . . 10.0 113.258 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.62 144.41 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 O-C-N 127.719 3.137 . . . . 10.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -152.86 78.33 1.18 Allowed 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 123.75 1.738 . . . . 10.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.88 -128.75 9.61 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 110.317 -3.129 . . . . 10.0 109.225 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 6.57 39.67 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 112.63 -1.785 . . . . 10.0 112.996 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -117.05 146.74 42.9 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 113.633 -1.621 . . . . 10.0 108.209 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.496 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 1.3 tt -103.03 92.21 4.45 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.123 -1.853 . . . . 10.0 112.784 179.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.54 149.28 25.88 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 111.695 -2.502 . . . . 10.0 109.655 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 107' ' ' THR . 7.8 tp -157.62 128.53 6.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 113.195 -1.821 . . . . 10.0 113.89 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -117.96 84.46 2.17 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 126.618 2.449 . . . . 10.0 114.406 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.0 mtp -76.43 119.27 20.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 112.867 -1.969 . . . . 10.0 111.311 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -115.65 138.91 50.61 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 125.699 1.875 . . . . 10.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.38 140.61 11.49 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 112.543 -2.117 . . . . 10.0 108.456 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 47.15 28.56 0.98 Allowed 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 123.51 1.624 . . . . 10.0 113.92 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.91 78.97 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 112.41 -2.177 . . . . 10.0 114.791 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.5 126.39 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.656 HG22 ' HE2' ' A' ' 127' ' ' LYS . 18.5 m -84.58 131.01 34.66 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 126.445 2.341 . . . . 10.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 135.35 34.95 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.612 1.195 . . . . 10.0 108.87 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -121.4 123.8 42.99 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 114.893 -1.049 . . . . 10.0 112.814 179.802 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.97 86.3 2.48 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 123.78 1.752 . . . . 10.0 107.76 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.72 124.65 14.42 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 108.968 -3.742 . . . . 10.0 111.227 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.16 160.15 16.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.061 -1.427 . . . . 10.0 110.075 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.781 ' HB2' HD12 ' A' ' 11' ' ' LEU . 25.6 tptp -145.58 107.45 4.3 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 124.303 2.002 . . . . 10.0 111.046 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 4.0 tttm -52.25 130.78 31.62 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.372 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' A' ' 9' ' ' LYS . 1.6 t -89.04 -59.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-N 112.815 -1.993 . . . . 10.0 113.212 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.827 0 CA-C-N 114.008 -1.451 . . . . 10.0 113.058 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.489 1.223 0 CA-C-O 125.683 2.285 . . . . 10.0 109.78 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.59 123.46 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 111.431 -2.622 . . . . 10.0 109.132 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.44 88.98 1.6 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 111.923 -2.399 . . . . 10.0 109.71 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.801 ' HB3' HG21 ' A' ' 42' ' ' ILE . 48.7 m-85 -68.09 -33.41 74.48 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.215 -1.811 . . . . 10.0 115.095 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -55.04 87.46 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 124.632 2.158 . . . . 10.0 114.263 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -168.62 -154.58 9.0 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-N 113.035 -1.893 . . . . 10.0 110.075 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -128.92 130.09 46.32 Favored 'General case' 0 CA--C 1.498 -1.051 0 O-C-N 125.802 1.53 . . . . 10.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -136.35 124.85 23.52 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 113.243 -1.799 . . . . 10.0 114.942 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HD3' HG22 ' A' ' 133' ' ' VAL . 42.3 pttt -111.46 144.87 39.98 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.443 0.64 . . . . 10.0 110.075 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 ttp -78.4 137.69 38.13 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-O 122.626 1.203 . . . . 10.0 110.727 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.88 -56.09 3.22 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 112.736 -2.029 . . . . 10.0 113.65 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.6 -172.21 4.16 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 112.48 -2.146 . . . . 10.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -155.75 133.62 11.27 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.815 -2.448 . . . . 10.0 108.766 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.25 -17.28 14.92 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.984 -2.825 . . . . 10.0 112.555 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -144.4 32.34 1.2 Allowed 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' HB2' ' CB ' ' A' ' 13' ' ' ASN . 19.1 t80 -74.97 -23.53 58.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 113.726 -1.579 . . . . 10.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.66 -44.09 24.59 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.13 -1.396 . . . . 10.0 113.497 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -70.78 -29.67 65.93 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 112.655 -2.066 . . . . 10.0 112.71 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -77.71 -23.47 49.46 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 111.873 -2.421 . . . . 10.0 111.476 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 25' ' ' VAL . 11.6 mt -77.66 -28.23 51.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 125.706 2.67 . . . . 10.0 109.027 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 -26.03 61.36 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 110.633 -2.985 . . . . 10.0 112.821 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 -30.29 66.46 Favored 'General case' 0 CA--C 1.499 -0.983 0 O-C-N 125.272 1.608 . . . . 10.0 112.711 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -101.26 5.96 42.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.913 -1.949 . . . . 10.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 50.26 63.26 2.27 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 111.651 -2.522 . . . . 10.0 114.627 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.51 HG11 HD22 ' A' ' 20' ' ' LEU . 2.1 t -83.86 141.14 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.552 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 25' ' ' VAL . 5.7 m-20 -49.38 160.73 0.23 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 112.9 -1.955 . . . . 10.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.34 -24.44 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 124.323 2.011 . . . . 10.0 112.803 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.04 -46.31 24.19 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.1 1.905 . . . . 10.0 111.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -30.18 71.36 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 113.096 -1.866 . . . . 10.0 114.88 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 30' ' ' ARG . 12.9 ttm105 -72.16 -32.31 66.74 Favored 'General case' 0 CA--C 1.497 -1.078 0 O-C-N 127.767 3.167 . . . . 10.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.22 62.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.788 -2.46 . . . . 10.0 114.538 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -74.26 -43.74 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 O-C-N 127.977 3.298 . . . . 10.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.72 -20.55 65.02 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 126.392 2.307 . . . . 10.0 114.564 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -70.17 -37.98 75.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.436 -1.256 . . . . 10.0 113.682 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.55 -15.82 47.79 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 127.159 2.787 . . . . 10.0 108.747 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 57' ' ' PHE . 1.7 mp -91.18 150.43 21.37 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 125.626 2.631 . . . . 10.0 109.776 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.19 76.15 1.01 Allowed Pre-proline 0 C--O 1.216 -0.66 0 CA-C-N 110.889 -2.869 . . . . 10.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -44.74 143.64 4.05 Favored 'Trans proline' 0 CA--C 1.497 -1.359 0 O-C-N 126.85 3.026 . . . . 10.0 113.285 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.27 117.02 32.97 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 127.022 2.701 . . . . 10.0 109.4 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -89.87 132.31 35.35 Favored 'General case' 0 C--O 1.209 -1.067 0 O-C-N 125.847 1.967 . . . . 10.0 113.359 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 99.8 5.89 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 110.672 -2.967 . . . . 10.0 108.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.801 HG21 ' HB3' ' A' ' 4' ' ' PHE . 3.2 mp -84.6 144.79 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 CA-C-N 113.269 -1.787 . . . . 10.0 110.581 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.06 90.88 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 112.02 -2.355 . . . . 10.0 110.038 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -76.49 137.79 39.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.347 1.459 . . . . 10.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -160.6 72.41 0.46 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 124.092 1.901 . . . . 10.0 111.501 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.59 7.51 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 114.18 -1.373 . . . . 10.0 112.58 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.89 -5.64 59.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 127.285 2.403 . . . . 10.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 112.41 -2.177 . . . . 10.0 110.031 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.72 123.58 23.88 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 127.36 2.913 . . . . 10.0 111.565 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 50' ' ' ILE . 2.2 mt -108.48 132.49 56.22 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 127.543 3.027 . . . . 10.0 109.967 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mt -111.36 104.37 16.96 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 111.906 -2.406 . . . . 10.0 109.556 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -72.24 159.86 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 124.238 1.97 . . . . 10.0 112.438 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.8 m -156.72 104.56 2.16 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 113.208 -1.814 . . . . 10.0 107.414 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.24 97.84 5.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 127.589 3.056 . . . . 10.0 111.698 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 5.28 24.84 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 110.81 -2.905 . . . . 10.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.79 18.63 10.86 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.383 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -118.14 -57.3 2.1 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.775 -1.557 . . . . 10.0 108.657 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -158.58 124.24 4.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 124.493 2.092 . . . . 10.0 109.069 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -79.23 125.44 29.47 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 112.995 -1.911 . . . . 10.0 112.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -135.01 87.95 2.38 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.477 -2.147 . . . . 10.0 111.443 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.63 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.9 mp -93.84 145.45 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 CA-C-N 112.727 -2.033 . . . . 10.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.3 mtt -130.17 158.68 39.04 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 127.144 2.777 . . . . 10.0 109.556 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.14 94.75 4.49 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.967 1.365 . . . . 10.0 109.046 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CD2' HG21 ' A' ' 86' ' ' VAL . 1.9 m-85 -86.62 102.0 13.77 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 111.712 -2.494 . . . . 10.0 111.724 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -89.16 96.05 10.56 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 126.285 2.241 . . . . 10.0 109.071 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -53.92 116.13 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 O-C-N 125.394 1.684 . . . . 10.0 114.86 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.55 61.84 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 127.225 2.828 . . . . 10.0 112.983 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.97 155.04 21.33 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.549 1.381 . . . . 10.0 114.575 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -90.04 149.79 22.37 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 124.47 1.106 . . . . 10.0 113.973 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 37.7 p90 -161.77 143.52 11.33 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 126.402 2.314 . . . . 10.0 111.455 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.48 162.21 26.07 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.548 3.03 . . . . 10.0 109.121 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -154.14 95.1 1.8 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 123.565 1.65 . . . . 10.0 114.352 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -79.8 109.75 14.51 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 111.296 -2.684 . . . . 10.0 108.804 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD23 HD13 ' A' ' 77' ' ' ILE . 7.8 mt -86.92 24.19 1.56 Allowed 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 125.55 1.781 . . . . 10.0 115.303 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -70.76 114.56 8.96 Favored 'General case' 0 CA--C 1.5 -0.946 0 O-C-N 121.062 -1.024 . . . . 10.0 108.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.35 -20.56 4.42 Favored Glycine 0 C--O 1.213 -1.2 0 CA-C-O 124.141 1.967 . . . . 10.0 109.381 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.543 HD13 HD23 ' A' ' 74' ' ' LEU . 4.0 mp -100.45 -69.66 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 109.608 -3.296 . . . . 10.0 107.484 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.14 22.18 0.96 Allowed 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 127.383 2.927 . . . . 10.0 113.547 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 52.2 78.75 0.12 Allowed 'General case' 0 C--O 1.211 -0.921 0 CA-C-N 113.153 -1.84 . . . . 10.0 113.672 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.09 166.57 24.31 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 112.583 -2.099 . . . . 10.0 109.46 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -148.24 133.81 18.75 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 126.452 2.345 . . . . 10.0 108.2 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 19.4 p -163.14 -176.03 4.63 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 124.22 1.962 . . . . 10.0 113.234 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.9 mtt -115.03 127.31 55.57 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 111.472 -2.604 . . . . 10.0 108.46 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.4 m -126.76 145.72 50.5 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.926 -1.488 . . . . 10.0 113.975 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.89 159.12 42.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.576 -1.193 . . . . 10.0 108.679 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.595 HG21 ' CD2' ' A' ' 64' ' ' PHE . 49.1 t -137.32 135.56 47.04 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 CA-C-O 124.786 2.231 . . . . 10.0 110.011 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -125.9 167.59 15.04 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 112.044 -2.344 . . . . 10.0 115.007 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -124.47 75.08 1.37 Allowed 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.542 3.026 . . . . 10.0 111.933 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -49.58 5.49 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.18 2.8 . . . . 10.0 110.452 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.08 -117.99 0.42 Allowed Glycine 0 C--N 1.351 1.366 0 CA-C-O 123.891 1.828 . . . . 10.0 110.97 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -74.75 -13.66 60.62 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 113.569 -1.315 . . . . 10.0 110.347 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -110.2 170.6 7.97 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 126.469 2.356 . . . . 10.0 111.575 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 tp -114.92 143.2 45.53 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.834 3.209 . . . . 10.0 109.017 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -140.94 124.91 17.17 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 118.75 -1.18 . . . . 10.0 112.058 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.32 133.16 56.29 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 126.405 3.003 . . . . 10.0 107.987 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.36 137.08 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 111.56 -2.563 . . . . 10.0 111.032 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -113.1 126.82 55.88 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 113.338 -1.756 . . . . 10.0 108.889 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -94.43 49.46 1.28 Allowed 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 125.79 1.931 . . . . 10.0 110.766 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.35 -146.14 18.9 Favored Glycine 0 C--O 1.21 -1.399 0 CA-C-O 124.497 2.165 . . . . 10.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -173.29 2.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 112.047 -2.076 . . . . 10.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm 69.44 -171.27 0.18 Allowed 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 126.318 2.261 . . . . 10.0 108.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -138.75 89.38 2.36 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.323 -2.217 . . . . 10.0 113.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 163.66 -36.19 0.31 Allowed Glycine 0 C--N 1.353 1.518 0 CA-C-N 109.254 -3.612 . . . . 10.0 112.159 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.42 93.96 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 127.263 3.411 . . . . 10.0 112.549 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.85 95.55 0.1 OUTLIER Glycine 0 C--N 1.348 1.197 0 CA-C-N 111.159 -2.746 . . . . 10.0 108.013 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.497 ' CZ2' ' HG2' ' A' ' 119' ' ' MET . 2.3 m0 -65.66 162.51 18.29 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 125.649 2.643 . . . . 10.0 115.409 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -149.54 145.66 26.96 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 110.272 -3.149 . . . . 10.0 108.084 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.57 162.97 33.24 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.272 2.233 . . . . 10.0 113.694 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -169.23 108.19 0.43 Allowed 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 111.792 -2.458 . . . . 10.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.404 ' C ' ' HG2' ' A' ' 111' ' ' GLU . 8.8 mt -81.65 143.03 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.645 3.091 . . . . 10.0 109.202 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.404 ' HG2' ' C ' ' A' ' 110' ' ' ILE . 3.1 mt-10 -135.73 44.38 2.51 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 111.71 -2.495 . . . . 10.0 114.465 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -119.75 4.96 Favored Glycine 0 C--O 1.213 -1.218 0 CA-C-N 114.465 -1.243 . . . . 10.0 114.477 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.1 36.42 2.24 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 112.905 -1.648 . . . . 10.0 113.555 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.49 107.24 2.39 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 127.177 2.798 . . . . 10.0 109.389 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.0 93.61 4.49 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 123.624 1.678 . . . . 10.0 114.1 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -92.95 153.68 18.62 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 110.327 -3.124 . . . . 10.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.853 HD11 ' HE3' ' A' ' 119' ' ' MET . 1.8 pt? -166.09 170.63 13.26 Favored 'General case' 0 CA--C 1.495 -1.147 0 CA-C-O 124.183 1.944 . . . . 10.0 111.047 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.94 95.67 4.01 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 111.887 -2.415 . . . . 10.0 112.905 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.853 ' HE3' HD11 ' A' ' 117' ' ' LEU . 24.3 mtt -77.28 141.12 40.12 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.3 -2.227 . . . . 10.0 109.747 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -132.93 139.25 47.24 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.887 3.242 . . . . 10.0 110.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -161.97 116.23 1.89 Allowed 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.408 -2.178 . . . . 10.0 114.144 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 60.2 22.27 11.62 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.38 0.86 59.4 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 112.536 -2.12 . . . . 10.0 113.657 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.95 139.44 23.89 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 O-C-N 128.512 3.125 . . . . 10.0 108.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -106.82 125.67 51.3 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 127.672 3.107 . . . . 10.0 111.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 111.13 18.06 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 124.502 2.096 . . . . 10.0 113.686 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -100.22 115.12 29.13 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.888 -1.506 . . . . 10.0 108.508 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.498 ' HB2' ' HE1' ' A' ' 119' ' ' MET . 0.0 OUTLIER -123.43 116.13 22.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.108 -2.769 . . . . 10.0 107.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.71 118.47 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.167 0 N-CA-C 115.78 1.77 . . . . 10.0 115.78 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -104.31 139.76 38.84 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.929 2.018 . . . . 10.0 108.954 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -112.55 140.93 46.89 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 114.044 -1.435 . . . . 10.0 113.318 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 140.75 58.34 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.005 -2.361 . . . . 10.0 108.176 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.463 HG22 ' HD3' ' A' ' 9' ' ' LYS . 62.1 t -106.28 -25.33 3.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 128.64 3.712 . . . . 10.0 113.698 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.1 p80 . . . . . 0 C--O 1.26 1.619 0 O-C-N 125.444 1.715 . . . . 10.0 111.691 -179.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.761 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo . . . . . 0 N--CA 1.491 1.36 0 CA-C-O 123.414 1.339 . . . . 10.0 113.529 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 t -110.1 85.21 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 CA-C-O 123.827 1.775 . . . . 10.0 112.736 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.68 138.81 33.68 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 110.565 -3.016 . . . . 10.0 110.108 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -82.41 -6.87 59.56 Favored 'General case' 0 CA--C 1.511 -0.558 0 O-C-N 127.222 2.826 . . . . 10.0 113.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -62.62 134.35 56.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.8 -2.909 . . . . 10.0 109.106 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.67 -163.96 23.18 Favored Glycine 0 C--O 1.212 -1.222 0 CA-C-N 111.611 -2.541 . . . . 10.0 112.395 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 41' ' ' GLU . 3.7 m-85 -112.3 141.72 45.66 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 127.058 2.269 . . . . 10.0 108.408 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 1.3 m95 -146.31 118.52 8.34 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.48 -1.236 . . . . 10.0 113.431 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -116.51 151.14 36.73 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-N 112.487 -2.142 . . . . 10.0 108.82 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.6 ptm -87.69 148.46 24.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 110.516 -3.038 . . . . 10.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.65 -67.14 0.96 Allowed 'General case' 0 CA--C 1.497 -1.062 0 O-C-N 128.84 3.837 . . . . 10.0 112.622 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 t -136.11 162.75 32.06 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 113.622 0.971 . . . . 10.0 113.622 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.29 179.48 4.1 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 115.553 -0.749 . . . . 10.0 112.548 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -139.43 -48.56 0.48 Allowed 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 112.849 -1.978 . . . . 10.0 114.057 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -139.92 38.81 1.98 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 125.809 2.719 . . . . 10.0 108.282 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CD2' ' C ' ' A' ' 16' ' ' PHE . 51.5 t80 -65.38 -34.42 78.27 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 113.064 -1.88 . . . . 10.0 115.43 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -73.21 -48.4 35.42 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 111.361 -2.654 . . . . 10.0 113.421 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.19 -27.41 68.67 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 126.17 2.169 . . . . 10.0 113.848 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.499 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 57.0 t80 -66.03 -33.5 75.94 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.729 -3.396 . . . . 10.0 113.869 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' HB3' HG11 ' A' ' 25' ' ' VAL . 8.0 mt -78.45 -31.3 47.91 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 114.517 -1.22 . . . . 10.0 113.931 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -24.72 65.88 Favored 'General case' 0 C--O 1.21 -0.983 0 O-C-N 126.861 2.6 . . . . 10.0 113.257 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 -25.79 58.24 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 127.025 3.298 . . . . 10.0 113.127 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.1 7.54 46.41 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 110.446 -3.07 . . . . 10.0 108.494 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 51.95 51.42 16.52 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 113.322 -1.763 . . . . 10.0 114.849 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 20' ' ' LEU . 3.8 p -69.99 149.25 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 113.25 -1.795 . . . . 10.0 107.793 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.1 161.09 19.68 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 125.413 2.53 . . . . 10.0 110.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.45 -30.1 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 CA-C-N 111.863 -2.426 . . . . 10.0 113.361 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -71.57 -42.13 68.2 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-O 122.699 1.238 . . . . 10.0 112.203 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.483 HD23 ' H41' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -68.01 -22.01 65.01 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 113.549 -1.66 . . . . 10.0 112.174 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.36 -27.44 46.92 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.504 -1.226 . . . . 10.0 109.604 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -39.55 53.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 112.205 -2.271 . . . . 10.0 110.766 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.655 HD12 ' O ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -71.33 -44.4 72.57 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 113.077 -1.874 . . . . 10.0 112.977 -179.639 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.12 48.94 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 127.411 2.944 . . . . 10.0 114.797 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.98 -36.75 59.11 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 112.54 -2.118 . . . . 10.0 111.34 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 35' ' ' LEU . 1.1 mt -91.87 -4.05 55.27 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 126.855 2.597 . . . . 10.0 112.557 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 57' ' ' PHE . 1.8 tp -95.09 133.22 39.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 109.603 -3.453 . . . . 10.0 112.707 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -141.54 74.89 23.01 Favored Pre-proline 0 C--O 1.215 -0.749 0 CA-C-N 110.102 -3.226 . . . . 10.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -68.73 168.74 19.26 Favored 'Trans proline' 0 CA--C 1.499 -1.237 0 CA-C-O 124.296 1.707 . . . . 10.0 111.586 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.11 142.51 47.53 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.144 -1.844 . . . . 10.0 108.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.93 129.39 48.18 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 124.338 2.018 . . . . 10.0 113.781 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 1.4 tt0 -115.42 108.21 16.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 110.687 -2.96 . . . . 10.0 109.824 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 42' ' ' ILE . 3.4 mm -91.1 148.04 4.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 CA-C-N 115.123 -0.944 . . . . 10.0 109.296 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.44 72.19 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 O-C-N 128.219 3.449 . . . . 10.0 110.972 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.96 129.26 35.91 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 125.355 1.659 . . . . 10.0 112.84 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.31 -50.82 2.93 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 126.805 2.566 . . . . 10.0 110.786 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.76 91.01 0.08 OUTLIER Glycine 0 C--O 1.209 -1.443 0 O-C-N 127.086 2.741 . . . . 10.0 112.764 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.28 31.29 2.42 Favored 'General case' 0 C--O 1.209 -1.065 0 C-N-CA 125.056 1.343 . . . . 10.0 109.666 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 121.75 8.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.661 3.726 . . . . 10.0 108.142 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.8 mtm -131.91 88.86 2.61 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 126.523 2.39 . . . . 10.0 112.451 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mt -72.62 104.92 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-O 124.145 1.926 . . . . 10.0 113.586 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -89.92 109.36 20.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.507 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -100.84 123.42 45.0 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 111.165 -2.743 . . . . 10.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.1 m -107.31 112.68 25.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 123.65 1.691 . . . . 10.0 108.531 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.84 143.2 38.35 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.238 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -28.55 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 112.847 -1.979 . . . . 10.0 114.849 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m 94.18 -15.49 0.11 Allowed 'General case' 0 C--O 1.209 -1.031 0 O-C-N 127.374 2.921 . . . . 10.0 111.583 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.597 ' HB3' HD21 ' A' ' 36' ' ' LEU . 10.3 t80 -84.92 -30.21 24.53 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-O 123.328 1.537 . . . . 10.0 108.965 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -177.75 132.25 0.16 Allowed 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 109.583 -3.462 . . . . 10.0 109.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.88 106.99 18.4 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.919 -2.4 . . . . 10.0 113.132 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -114.0 109.18 18.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 113.606 -1.633 . . . . 10.0 110.261 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.9 144.2 35.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 CA-C-N 114.318 -1.31 . . . . 10.0 113.082 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.43 147.05 12.17 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 128.112 3.382 . . . . 10.0 111.267 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.43 89.09 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 127.63 3.081 . . . . 10.0 111.312 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.21 124.13 22.62 Favored 'General case' 0 C--O 1.209 -1.065 0 O-C-N 128.325 3.515 . . . . 10.0 112.384 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.3 134.51 46.57 Favored 'General case' 0 CA--C 1.495 -1.169 0 O-C-N 126.168 2.168 . . . . 10.0 110.287 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -94.25 125.87 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 O-C-N 126.887 2.617 . . . . 10.0 113.22 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.58 -18.6 56.14 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 114.462 -1.244 . . . . 10.0 113.225 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -110.57 150.04 29.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 114.199 1.185 . . . . 10.0 114.199 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HA ' HG23 ' A' ' 85' ' ' THR . 1.7 tm-20 -88.1 144.0 26.75 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 124.469 1.106 . . . . 10.0 112.445 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -168.33 155.22 7.62 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 127.781 3.175 . . . . 10.0 114.196 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.73 168.34 0.2 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 110.745 -2.934 . . . . 10.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.79 67.16 1.4 Allowed 'General case' 0 C--O 1.219 -0.516 0 O-C-N 128.03 3.331 . . . . 10.0 110.659 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.78 99.05 0.21 Allowed 'General case' 0 C--N 1.35 0.604 0 CA-C-N 110.44 -3.073 . . . . 10.0 112.72 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 tp -120.25 78.66 1.37 Allowed 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 125.96 2.79 . . . . 10.0 111.574 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.16 32.36 6.16 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 111.422 -2.626 . . . . 10.0 111.061 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' ILE . . . -144.49 23.55 2.02 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 109.773 -3.376 . . . . 10.0 109.361 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 76' ' ' GLY . 2.3 mp -154.22 -72.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 113.446 -1.377 . . . . 10.0 113.006 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.546 ' N ' HG22 ' A' ' 77' ' ' ILE . 1.3 p30 -117.3 3.35 12.58 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 113.057 -1.883 . . . . 10.0 114.726 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 50.37 67.49 0.91 Allowed 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 126.993 3.282 . . . . 10.0 112.948 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -134.93 149.72 50.29 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 109.807 -3.361 . . . . 10.0 111.301 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 107.97 8.18 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 127.141 2.775 . . . . 10.0 109.54 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.3 m -141.28 177.45 8.09 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.643 -1.286 . . . . 10.0 114.391 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.1 mtp -103.95 141.97 35.23 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 125.369 1.668 . . . . 10.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -142.65 145.95 33.97 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 125.546 2.593 . . . . 10.0 112.694 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -131.28 160.05 36.07 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 110.565 -3.016 . . . . 10.0 110.961 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.55 114.09 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-N 112.26 -2.245 . . . . 10.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.25 154.07 17.72 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.799 3.187 . . . . 10.0 108.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.51 116.56 19.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.203 -1.362 . . . . 10.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -85.49 -59.58 2.28 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 127.135 2.772 . . . . 10.0 114.238 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 155.94 118.49 0.6 Allowed Glycine 0 C--N 1.35 1.345 0 CA-C-N 114.364 -1.289 . . . . 10.0 111.19 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.7 23.62 9.68 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 125.462 1.331 . . . . 10.0 111.297 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -156.45 169.11 25.37 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 127.546 3.029 . . . . 10.0 108.579 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 tt -151.46 136.41 17.33 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 126.991 2.682 . . . . 10.0 114.052 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.751 ' CG ' HG22 ' A' ' 107' ' ' THR . 6.7 mp0 -129.76 157.49 42.04 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 124.454 2.073 . . . . 10.0 111.642 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.4 m -121.25 108.22 13.48 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 110.829 -2.896 . . . . 10.0 111.79 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.96 123.91 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 O-C-N 125.748 1.905 . . . . 10.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.0 148.25 43.19 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 124.844 1.34 . . . . 10.0 108.858 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -88.65 -89.55 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 127.444 2.965 . . . . 10.0 113.242 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.14 -153.27 5.99 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-O 123.801 1.779 . . . . 10.0 109.785 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -155.68 66.4 0.61 Allowed 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.219 -1.99 . . . . 10.0 113.915 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.521 ' HB3' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -149.86 163.62 37.56 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 124.813 2.244 . . . . 10.0 109.044 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.07 101.69 0.9 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 111.161 -2.745 . . . . 10.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.63 -110.04 2.49 Favored Glycine 0 C--O 1.226 -0.37 0 CA-C-N 111.034 -2.803 . . . . 10.0 113.127 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.521 ' CD ' ' HB3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 54.63 91.49 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.77 0 O-C-N 129.092 3.466 . . . . 10.0 111.997 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.01 123.42 0.67 Allowed Glycine 0 C--O 1.21 -1.378 0 CA-C-N 109.753 -3.385 . . . . 10.0 109.936 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.41 ' CD1' ' N ' ' A' ' 106' ' ' TRP . 0.1 OUTLIER -97.17 169.66 9.65 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 125.259 2.457 . . . . 10.0 109.931 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.751 HG22 ' CG ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -151.52 150.23 30.12 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 110.583 -3.008 . . . . 10.0 111.819 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -134.41 150.42 50.87 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 125.853 1.971 . . . . 10.0 109.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.414 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 7.2 t90 -169.13 79.24 0.12 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 111.526 -2.579 . . . . 10.0 109.145 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.7 mt -52.64 130.93 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-N 110.203 -3.181 . . . . 10.0 111.759 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -128.61 78.91 1.88 Allowed 'General case' 0 CA--C 1.513 -0.472 0 O-C-N 126.663 2.477 . . . . 10.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.18 -130.17 10.14 Favored Glycine 0 C--O 1.216 -1.025 0 CA-C-N 114.327 -1.306 . . . . 10.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 29.21 1.95 Allowed 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -143.88 151.44 39.85 Favored 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 114.611 -1.177 . . . . 10.0 111.278 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -102.33 101.65 11.93 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 123.387 1.565 . . . . 10.0 112.69 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -91.56 138.83 31.26 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 114.28 -1.327 . . . . 10.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 pp -157.42 143.4 17.61 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 126.117 2.135 . . . . 10.0 111.52 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.06 92.86 3.28 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 123.997 1.856 . . . . 10.0 112.268 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.7 mtm -80.41 169.18 18.06 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 112.617 -2.083 . . . . 10.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -147.76 142.99 27.22 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 113.489 -1.687 . . . . 10.0 113.186 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.52 111.11 0.9 Allowed 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 114.1 1.148 . . . . 10.0 114.1 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 70.19 21.49 5.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.641 1.21 . . . . 10.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.01 0.37 71.49 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.086 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 50.3 t -91.93 123.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.615 -1.292 . . . . 10.0 114.02 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.81 131.28 37.28 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 128.358 3.536 . . . . 10.0 112.376 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.499 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 2.5 t -131.84 114.23 14.45 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 111.874 -2.421 . . . . 10.0 111.121 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -116.56 132.18 56.75 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 112.005 -2.361 . . . . 10.0 112.558 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -118.89 124.02 46.08 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 111.245 -2.707 . . . . 10.0 112.744 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.7 t -93.51 110.14 22.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 CA-C-N 112.976 -1.92 . . . . 10.0 108.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.461 ' HB2' ' HB3' ' A' ' 115' ' ' LEU . 3.1 m-85 -97.55 169.89 9.4 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 112.555 -2.111 . . . . 10.0 110.31 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 134.8 20.64 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 110.014 -3.266 . . . . 10.0 108.869 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.431 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 9.5 tttt -97.77 133.61 42.05 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 110.879 -2.873 . . . . 10.0 108.658 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.0 t -100.22 -46.13 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 112.166 -2.288 . . . . 10.0 109.815 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.26 1.652 0 CA-C-N 110.673 -2.967 . . . . 10.0 111.067 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.683 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo . . . . . 0 N--CA 1.507 2.287 0 CA-C-O 124.733 1.889 . . . . 10.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.38 139.92 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 110.924 -2.853 . . . . 10.0 110.336 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -63.66 100.52 0.28 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 113.44 -1.709 . . . . 10.0 112.133 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 42' ' ' ILE . 6.1 m-85 -97.59 -40.44 8.62 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 126.145 2.153 . . . . 10.0 110.224 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.92 117.7 5.78 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 110.953 -2.839 . . . . 10.0 111.932 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.07 -145.16 10.43 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 123.807 1.782 . . . . 10.0 109.884 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HB2' ' HB ' ' A' ' 133' ' ' VAL . 5.8 m-85 -137.81 124.11 20.57 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 121.672 -0.899 . . . . 10.0 110.205 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 1.6 m95 -129.38 120.5 25.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 124.789 2.233 . . . . 10.0 112.774 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.7 -179.73 3.74 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 111.895 -2.411 . . . . 10.0 108.4 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 175.97 5.31 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.681 1.705 . . . . 10.0 113.853 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -136.17 -56.53 0.76 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 110.177 -3.192 . . . . 10.0 109.715 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.6 179.28 8.52 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 113.494 -1.684 . . . . 10.0 114.236 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.93 169.66 10.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 111.182 -2.736 . . . . 10.0 108.515 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.64 -58.03 0.48 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 125.083 1.489 . . . . 10.0 113.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -136.22 40.98 2.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 127.839 3.212 . . . . 10.0 108.73 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -70.18 -31.49 68.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 111.268 -2.696 . . . . 10.0 112.612 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.85 -46.2 46.44 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.4 -1.273 . . . . 10.0 112.366 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.44 -27.58 65.38 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.163 -0.926 . . . . 10.0 112.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 70.9 t80 -73.25 -28.08 61.94 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 126.602 2.438 . . . . 10.0 110.621 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.624 HD21 H182 ' A' ' 135' ' ' RTL . 12.7 mt -73.67 -44.47 56.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.475 -1.239 . . . . 10.0 110.786 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -65.41 -20.93 66.59 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.354 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.06 62.69 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 123.771 1.748 . . . . 10.0 112.165 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.58 -15.16 27.26 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 110.554 -3.021 . . . . 10.0 110.07 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 76.57 61.78 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 126.154 2.159 . . . . 10.0 114.635 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.7 155.52 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 CA-C-N 114.517 -1.22 . . . . 10.0 110.357 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.35 167.89 0.18 Allowed 'General case' 0 C--O 1.219 -0.537 0 O-C-N 126.746 2.529 . . . . 10.0 112.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -77.82 -27.36 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 110.857 -2.883 . . . . 10.0 113.314 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.05 -47.53 24.36 Favored 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 129.111 4.007 . . . . 10.0 113.414 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -28.5 69.83 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 125.147 2.403 . . . . 10.0 113.976 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -27.19 52.72 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 110.549 -3.023 . . . . 10.0 111.344 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -79.89 -31.41 40.27 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 109.733 -3.394 . . . . 10.0 114.39 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.72 HG22 ' CZ ' ' A' ' 57' ' ' PHE . 43.9 mt -78.85 -43.26 24.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 112.309 -2.223 . . . . 10.0 113.088 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -27.82 69.56 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.587 -1.642 . . . . 10.0 112.843 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.79 -32.38 73.63 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 125.188 1.555 . . . . 10.0 113.275 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 35' ' ' LEU . 43.3 mt -78.59 -49.62 12.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 123.945 1.831 . . . . 10.0 112.609 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 57' ' ' PHE . 2.6 mm? -62.5 150.23 40.77 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 109.484 -3.507 . . . . 10.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -143.97 82.37 11.07 Favored Pre-proline 0 C--O 1.211 -0.931 0 O-C-N 126.829 2.581 . . . . 10.0 108.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.97 -179.11 0.21 Allowed 'Trans proline' 0 CA--C 1.494 -1.499 1 O-C-N 129.084 4.202 . . . . 10.0 111.642 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -145.68 155.99 43.35 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 112.451 -2.159 . . . . 10.0 109.345 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 42' ' ' ILE . 21.4 mttp -121.07 132.93 55.18 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -116.49 122.02 43.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 127.035 2.71 . . . . 10.0 107.664 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' A' ' 4' ' ' PHE . 4.7 mp -121.6 133.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 O-C-N 126.446 2.341 . . . . 10.0 113.759 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.71 81.03 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 O-C-N 127.351 2.907 . . . . 10.0 113.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -71.71 131.35 43.01 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-N 111.74 -2.482 . . . . 10.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.53 21.26 10.21 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 124.571 2.129 . . . . 10.0 114.146 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 108.25 0.59 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 112.342 -2.208 . . . . 10.0 110.75 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 59.7 21.92 10.68 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 126.203 1.767 . . . . 10.0 110.696 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 48' ' ' HIS . 14.1 t-160 -158.62 112.8 2.47 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.293 -2.23 . . . . 10.0 109.348 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttm -128.88 138.03 51.79 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.125 -2.761 . . . . 10.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.3 mt -118.42 109.45 27.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 126.331 2.269 . . . . 10.0 108.452 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.484 HD12 H152 ' A' ' 135' ' ' RTL . 49.1 mt -99.84 109.06 23.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.333 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -101.26 110.2 22.18 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 109.88 -3.327 . . . . 10.0 112.949 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.73 102.94 14.81 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 112.413 -2.176 . . . . 10.0 107.952 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.28 119.67 25.91 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 112.963 -1.926 . . . . 10.0 114.459 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.09 166.16 26.16 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.207 -0.906 . . . . 10.0 111.055 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.7 p -81.75 -17.02 49.19 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 123.214 1.483 . . . . 10.0 112.095 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.72 ' CZ ' HG22 ' A' ' 32' ' ' ILE . 2.3 m-85 -85.47 -47.41 9.96 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.965 -1.471 . . . . 10.0 113.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -170.17 144.98 2.71 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 127.305 2.878 . . . . 10.0 114.295 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -84.63 124.52 31.55 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.676 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -120.07 97.3 5.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 125.54 2.59 . . . . 10.0 111.822 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.6 126.12 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.57 ' HE3' ' HG2' ' A' ' 72' ' ' GLU . 32.9 mtp -130.06 124.75 33.56 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 124.831 1.332 . . . . 10.0 110.064 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -90.53 57.22 3.56 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 114.583 -1.19 . . . . 10.0 112.149 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -47.88 141.17 5.96 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.796 1.284 . . . . 10.0 114.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.21 113.02 13.93 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 111.746 -2.479 . . . . 10.0 107.678 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -84.12 125.09 40.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.074 0 CA-C-O 124.023 1.868 . . . . 10.0 114.203 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.99 -26.45 19.16 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 110.941 -2.845 . . . . 10.0 111.334 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 169.53 8.53 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 127.514 2.538 . . . . 10.0 112.604 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -113.92 139.43 49.21 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 112.366 -2.197 . . . . 10.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 8.1 p90 -160.88 145.27 13.8 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.638 -1.619 . . . . 10.0 110.726 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.61 161.92 5.58 Favored 'General case' 0 N--CA 1.462 0.145 0 O-C-N 126.673 2.483 . . . . 10.0 110.165 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.57 ' HG2' ' HE3' ' A' ' 62' ' ' MET . 4.0 tt0 -139.41 133.46 31.06 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 110.831 -2.895 . . . . 10.0 109.153 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.7 119.13 38.3 Favored 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 127.301 2.875 . . . . 10.0 109.596 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.35 24.78 8.37 Favored 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 125.905 2.003 . . . . 10.0 110.683 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.1 p -75.9 135.26 40.13 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 126.899 3.238 . . . . 10.0 110.411 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.26 -12.49 55.15 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.64 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.477 HG23 H183 ' A' ' 135' ' ' RTL . 2.4 mp -112.77 -85.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 111.374 -2.413 . . . . 10.0 108.622 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.95 11.09 3.94 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 114.759 1.392 . . . . 10.0 114.759 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.3 t0 40.94 89.09 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 125.796 1.935 . . . . 10.0 114.224 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.68 46.44 0.71 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 123.336 1.541 . . . . 10.0 110.146 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -39.56 120.32 1.07 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 109.556 -3.475 . . . . 10.0 113.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.4 m -148.46 -175.4 4.9 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 118.382 -1.327 . . . . 10.0 114.441 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.21 143.64 26.45 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 125.209 1.568 . . . . 10.0 110.072 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 133.92 24.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 123.923 1.82 . . . . 10.0 113.948 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.5 148.03 45.65 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-N 111.669 -2.514 . . . . 10.0 109.717 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.86 143.33 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 C-N-CA 119.457 -0.897 . . . . 10.0 109.568 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -140.99 -166.92 2.26 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 126.475 2.359 . . . . 10.0 109.05 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -137.8 160.24 39.8 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 125.823 1.952 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.66 57.43 1.11 Allowed 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 123.686 1.708 . . . . 10.0 112.13 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.96 -96.34 2.0 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-N 113.4 -1.727 . . . . 10.0 114.747 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -93.57 -18.33 22.35 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 127.364 2.45 . . . . 10.0 114.766 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 156.33 37.3 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 113.419 0.896 . . . . 10.0 113.419 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.24 88.49 2.78 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 128.07 3.356 . . . . 10.0 108.639 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -93.17 151.96 19.52 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 125.913 2.008 . . . . 10.0 107.948 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 16.7 m -117.32 157.57 25.89 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 126.656 2.472 . . . . 10.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.2 133.83 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 111.969 -2.378 . . . . 10.0 111.804 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -97.52 168.79 10.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.043 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -143.24 58.35 1.4 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 117.863 -1.535 . . . . 10.0 108.905 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.63 72.61 0.33 Allowed Glycine 0 C--N 1.339 0.733 0 CA-C-N 112.418 -2.174 . . . . 10.0 114.6 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 63.04 -159.56 0.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 O-C-N 127.677 2.634 . . . . 10.0 114.39 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.409 ' HB3' ' HD3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER 68.37 -175.44 0.2 Allowed 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.701 1.239 . . . . 10.0 109.021 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -164.01 101.15 0.87 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 124.918 2.294 . . . . 10.0 108.661 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.61 -36.38 1.17 Allowed Glycine 0 N--CA 1.465 0.576 0 CA-C-N 110.088 -3.233 . . . . 10.0 113.19 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 101' ' ' LYS . 21.8 ptt-85 -45.18 148.64 0.58 Allowed 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 127.737 2.669 . . . . 10.0 113.026 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.13 87.81 0.48 Allowed Glycine 0 C--N 1.351 1.383 0 CA-C-N 110.05 -3.25 . . . . 10.0 109.49 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.95 134.46 43.14 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 126.169 1.746 . . . . 10.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 147.63 43.9 Favored 'General case' 0 C--O 1.208 -1.09 0 O-C-N 127.38 2.925 . . . . 10.0 109.994 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.13 162.69 18.2 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 110.405 -3.088 . . . . 10.0 109.277 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -140.06 -62.02 0.51 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 112.276 -2.238 . . . . 10.0 114.085 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CG1' ' HG ' ' A' ' 115' ' ' LEU . 3.8 mt 70.26 142.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 128.153 3.408 . . . . 10.0 112.419 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -126.27 -175.17 3.3 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 110.373 -3.103 . . . . 10.0 110.54 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.89 -46.42 60.58 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 113.495 -1.684 . . . . 10.0 111.229 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.17 69.66 0.78 Allowed 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.538 -0.831 . . . . 10.0 111.742 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 164.6 130.49 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.934 0 O-C-N 127.421 2.951 . . . . 10.0 109.386 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.528 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -90.93 113.8 26.11 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-N 111.932 -2.395 . . . . 10.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -107.89 102.45 11.64 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 113.006 -1.907 . . . . 10.0 110.763 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -124.02 149.49 45.99 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.121 2.763 . . . . 10.0 108.891 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -128.72 97.98 4.85 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.384 -1.735 . . . . 10.0 113.078 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 71.3 mtp -86.99 127.79 35.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 127.354 2.909 . . . . 10.0 113.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -125.43 155.62 40.16 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.339 2.274 . . . . 10.0 111.47 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -170.06 128.65 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 128.021 3.325 . . . . 10.0 112.482 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 64.07 17.14 10.45 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.4 1.259 . . . . 10.0 114.4 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.28 57.46 Favored Glycine 0 C--O 1.216 -0.993 0 O-C-N 125.278 1.611 . . . . 10.0 113.345 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.73 137.87 24.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 111.755 -2.223 . . . . 10.0 108.592 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 m -111.55 133.46 53.81 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 112.598 -2.092 . . . . 10.0 113.365 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -137.92 132.03 31.79 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 112.178 -2.283 . . . . 10.0 110.516 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.17 18.5 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 113.487 -1.688 . . . . 10.0 113.14 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -96.53 140.27 31.4 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 125.039 1.336 . . . . 10.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.73 99.53 8.73 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 124.237 1.97 . . . . 10.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -100.24 136.5 40.04 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-N 111.597 -2.547 . . . . 10.0 107.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 9.2 tptm -103.45 126.88 50.86 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 110.929 -2.851 . . . . 10.0 114.588 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -75.18 151.51 38.48 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 128.796 3.81 . . . . 10.0 109.373 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 134' ' ' HIS . 24.3 t -115.22 -71.91 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 111.447 -2.615 . . . . 10.0 108.428 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.438 ' N ' HG12 ' A' ' 133' ' ' VAL . 2.4 t-80 . . . . . 0 C--O 1.245 0.823 0 O-C-N 127.057 2.723 . . . . 10.0 112.588 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.624 H182 HD21 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.51 2.484 0 CA-C-O 123.87 1.529 . . . . 10.0 111.081 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -76.98 131.75 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 113.348 -1.751 . . . . 10.0 107.807 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -132.85 125.2 29.46 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 128.057 3.348 . . . . 10.0 112.526 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -87.14 -21.08 26.18 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 112.033 -2.349 . . . . 10.0 113.842 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -49.36 133.31 19.95 Favored 'General case' 0 CA--C 1.507 -0.686 0 O-C-N 124.636 1.21 . . . . 10.0 111.723 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.34 -158.88 23.61 Favored Glycine 0 C--O 1.208 -1.508 0 CA-C-O 123.307 1.504 . . . . 10.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.56 129.51 55.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.563 -1.819 . . . . 10.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.467 ' CD1' HD12 ' A' ' 42' ' ' ILE . 20.8 m95 -123.51 118.6 27.75 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 124.946 1.404 . . . . 10.0 109.042 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HG2' ' CG2' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.79 143.49 44.56 Favored 'General case' 0 C--O 1.21 -1.021 0 O-C-N 126.69 2.493 . . . . 10.0 109.595 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.53 168.77 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 126.883 3.23 . . . . 10.0 115.449 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -142.51 -56.62 0.44 Allowed 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 109.568 -3.469 . . . . 10.0 109.778 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 p -170.7 147.79 2.87 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 126.567 2.417 . . . . 10.0 109.368 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.95 127.65 32.85 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 112.69 -2.05 . . . . 10.0 108.639 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -113.58 146.6 39.45 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 127.389 2.931 . . . . 10.0 112.33 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 51.3 27.62 3.72 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 125.545 2.593 . . . . 10.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -76.22 -30.91 58.14 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 113.079 -1.873 . . . . 10.0 112.479 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -27.24 57.47 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 111.162 -2.744 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.65 -29.59 59.17 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 112.081 -2.327 . . . . 10.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -73.38 -23.99 60.25 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 111.956 -2.384 . . . . 10.0 110.421 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 20' ' ' LEU . 55.1 mt -76.0 -39.18 56.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 126.063 2.102 . . . . 10.0 112.973 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' NH1' HH11 ' A' ' 30' ' ' ARG . 1.9 ttp-105 -62.84 -23.41 67.28 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 113.031 -1.895 . . . . 10.0 115.158 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -23.83 60.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 112.92 -1.945 . . . . 10.0 111.824 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 19' ' ' TYR . 25.0 mt -106.48 29.91 6.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.298 -1.319 . . . . 10.0 111.668 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 35.62 43.01 0.15 Allowed 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 128.471 3.607 . . . . 10.0 115.308 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -78.43 141.77 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.803 -2.908 . . . . 10.0 108.638 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -45.99 153.05 0.33 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-O 123.136 1.445 . . . . 10.0 111.413 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 p -72.48 -20.19 19.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 CA-C-N 110.271 -3.149 . . . . 10.0 111.729 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.88 -37.22 55.91 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 112.129 -2.305 . . . . 10.0 109.66 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.52 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -68.4 -22.24 64.64 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.282 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.449 HH11 ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -79.6 -30.57 41.56 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 125.998 2.061 . . . . 10.0 108.64 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -39.97 89.42 Favored 'General case' 0 C--O 1.218 -0.559 0 O-C-N 126.866 2.604 . . . . 10.0 111.73 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 57' ' ' PHE . 60.6 mt -79.04 -38.3 20.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 110.346 -3.115 . . . . 10.0 111.907 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -59.52 -22.87 62.27 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.884 -2.416 . . . . 10.0 114.713 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.62 -22.4 66.96 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.795 -1.548 . . . . 10.0 113.694 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.78 24.27 7.75 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 126.571 2.419 . . . . 10.0 113.564 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.531 HD12 H162 ' A' ' 135' ' ' RTL . 0.5 OUTLIER -105.6 94.41 5.19 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 111.804 -2.453 . . . . 10.0 109.195 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -129.59 82.38 67.47 Favored Pre-proline 0 CA--C 1.504 -0.792 0 CA-C-N 110.933 -2.849 . . . . 10.0 108.241 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 36' ' ' LEU . 4.2 Cg_exo -67.76 -171.86 0.36 Allowed 'Trans proline' 0 CA--C 1.494 -1.521 0 O-C-N 127.156 3.187 . . . . 10.0 114.68 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.28 170.51 11.8 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 111.61 -2.541 . . . . 10.0 108.512 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -141.34 145.13 35.04 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 125.256 1.598 . . . . 10.0 114.197 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -138.93 128.91 25.13 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 110.609 -2.996 . . . . 10.0 108.618 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.467 HD12 ' CD1' ' A' ' 8' ' ' TRP . 3.2 mt -121.69 145.02 28.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-N 111.841 -2.436 . . . . 10.0 112.782 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.06 80.94 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 111.876 -2.42 . . . . 10.0 110.008 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' HG2' ' CE ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -50.89 119.21 3.71 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 123.668 1.699 . . . . 10.0 114.037 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -152.15 99.9 2.57 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.263 -2.244 . . . . 10.0 108.011 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.08 131.93 1.04 Allowed Glycine 0 C--O 1.211 -1.302 0 O-C-N 126.615 2.447 . . . . 10.0 113.534 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 69.25 34.06 3.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.172 1.175 . . . . 10.0 114.172 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.464 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 1.4 m170 158.8 80.06 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 126.353 2.283 . . . . 10.0 112.32 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.448 ' CE ' ' HG2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -94.71 101.04 12.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.616 -1.629 . . . . 10.0 108.285 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.51 121.68 36.59 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 O-C-N 127.966 3.291 . . . . 10.0 110.046 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.49 108.45 25.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 111.92 -2.4 . . . . 10.0 108.883 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.97 151.48 23.71 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 110.159 -3.201 . . . . 10.0 109.555 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.7 m -148.82 96.31 2.55 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 128.866 3.854 . . . . 10.0 109.25 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.58 82.09 2.41 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 124.576 2.131 . . . . 10.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.7 p -100.61 -4.06 29.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 111.153 -2.749 . . . . 10.0 113.836 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.06 24.73 6.3 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 112.937 -1.938 . . . . 10.0 113.55 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -127.48 -68.5 0.78 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 126.582 2.426 . . . . 10.0 110.836 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.54 62.09 1.62 Allowed 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 112.761 -2.018 . . . . 10.0 111.677 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 8.8 m120 -31.56 93.73 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 127.931 3.27 . . . . 10.0 113.424 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 62' ' ' MET . 3.1 t80 -83.18 73.04 10.13 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 128.718 3.761 . . . . 10.0 114.649 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 59' ' ' ASN . 1.3 mp -100.0 117.16 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 109.879 -3.328 . . . . 10.0 112.528 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.433 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 18.7 mtt -146.86 152.09 38.14 Favored 'General case' 0 CA--C 1.495 -1.146 0 CA-C-O 124.127 1.917 . . . . 10.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -96.9 71.77 2.52 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 110.338 -3.119 . . . . 10.0 113.215 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.2 115.03 2.21 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 112.814 -1.994 . . . . 10.0 112.909 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 27.0 mt-30 -91.14 143.4 26.72 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 112.84 -1.982 . . . . 10.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.37 125.95 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-O 123.975 1.845 . . . . 10.0 111.943 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.86 20.51 59.43 Favored Glycine 0 C--O 1.215 -1.091 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.802 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -134.46 141.91 46.92 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-O 125.034 2.349 . . . . 10.0 114.539 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -90.63 102.44 15.19 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 111.98 -2.373 . . . . 10.0 108.034 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 70' ' ' PHE . 21.9 p90 -134.39 150.19 50.87 Favored 'General case' 0 CA--C 1.494 -1.193 0 O-C-N 127.633 3.083 . . . . 10.0 110.327 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -76.91 133.52 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 113.899 -1.501 . . . . 10.0 113.96 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -105.85 97.43 7.26 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.904 2.003 . . . . 10.0 113.2 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.35 105.98 2.34 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 112.174 -2.284 . . . . 10.0 112.639 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.99 10.62 34.92 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.411 1.694 . . . . 10.0 112.826 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 75' ' ' THR . 1.2 m -58.75 99.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 123.123 1.439 . . . . 10.0 111.275 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.09 -29.1 0.9 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 113.18 -1.827 . . . . 10.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.91 -65.59 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 113.567 -1.316 . . . . 10.0 112.95 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.9 1.58 8.69 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.684 1.865 . . . . 10.0 112.964 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 t70 48.43 90.45 0.02 OUTLIER 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.739 1.733 . . . . 10.0 114.339 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.25 123.25 0.13 Allowed 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.04 1.126 . . . . 10.0 114.04 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -84.97 128.99 34.87 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 125.625 1.828 . . . . 10.0 109.463 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 m -144.17 154.26 42.97 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 125.283 2.468 . . . . 10.0 110.531 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtt -81.93 138.04 35.06 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 110.391 -3.095 . . . . 10.0 111.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 85' ' ' THR . 2.7 m -127.41 153.96 45.61 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.32 -3.127 . . . . 10.0 113.406 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.451 ' N ' HG22 ' A' ' 84' ' ' THR . 0.2 OUTLIER -151.28 147.21 26.69 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 111.075 -2.784 . . . . 10.0 109.875 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.738 ' CG1' HD11 ' A' ' 93' ' ' LEU . 48.6 t -131.23 117.63 37.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 126.694 2.497 . . . . 10.0 110.402 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -122.67 156.94 33.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 124.948 2.308 . . . . 10.0 113.737 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 140.18 31.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 111.438 -2.619 . . . . 10.0 112.333 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.56 112.59 2.46 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 111.985 -2.371 . . . . 10.0 114.29 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.86 56.73 7.33 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.122 -0.944 . . . . 10.0 113.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 46.61 37.01 4.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 125.045 1.085 . . . . 10.0 113.913 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.52 109.78 8.37 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 127.041 2.713 . . . . 10.0 109.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.738 HD11 ' CG1' ' A' ' 86' ' ' VAL . 13.1 tp -81.89 130.37 35.05 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 112.034 -2.348 . . . . 10.0 111.404 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -134.09 164.51 27.17 Favored 'General case' 0 C--O 1.209 -1.071 0 CA-C-N 110.277 -3.147 . . . . 10.0 109.507 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.97 158.44 26.74 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 113.35 -1.75 . . . . 10.0 108.717 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.6 t -140.37 104.97 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 CA-C-N 112.496 -2.138 . . . . 10.0 108.972 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -109.47 106.58 16.39 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.409 -1.723 . . . . 10.0 108.132 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -44.95 -55.87 5.1 Favored 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.088 3.368 . . . . 10.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.78 -157.94 0.14 Allowed Glycine 0 C--O 1.209 -1.411 0 O-C-N 126.271 2.232 . . . . 10.0 113.81 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.49 18.54 4.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 113.478 -1.361 . . . . 10.0 112.179 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -125.36 174.24 8.29 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 126.889 2.618 . . . . 10.0 108.585 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -102.71 137.68 40.61 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 124.896 1.372 . . . . 10.0 111.614 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.27 24.27 52.01 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-N 111.538 -2.574 . . . . 10.0 112.503 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -83.77 129.43 34.94 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.983 -1.608 . . . . 10.0 113.137 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.87 142.39 4.71 Favored Glycine 0 C--N 1.344 1.0 0 CA-C-N 112.98 -1.918 . . . . 10.0 111.344 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -96.31 -175.57 3.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 113.574 -1.313 . . . . 10.0 113.055 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.8 m -160.54 117.55 2.42 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 128.062 3.351 . . . . 10.0 110.413 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.561 ' HG2' HD21 ' A' ' 115' ' ' LEU . 6.0 mt-30 -103.53 126.57 50.76 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 126.097 2.123 . . . . 10.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 10.6 t90 -147.84 103.36 3.49 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.751 1.739 . . . . 10.0 108.658 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.3 mt -78.45 151.67 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.835 0 CA-C-N 113.026 -1.897 . . . . 10.0 112.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -137.13 75.69 1.54 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 110.689 -2.96 . . . . 10.0 110.478 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.67 -106.55 2.54 Favored Glycine 0 C--O 1.213 -1.214 0 CA-C-N 112.431 -2.168 . . . . 10.0 110.588 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.71 71.54 0.76 Allowed 'General case' 0 CA--C 1.497 -1.087 0 CA-C-N 111.111 -2.545 . . . . 10.0 111.3 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.69 140.66 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 111.142 -2.754 . . . . 10.0 109.905 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.561 HD21 ' HG2' ' A' ' 108' ' ' GLN . 0.9 OUTLIER -98.72 108.04 20.64 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 111.044 -2.798 . . . . 10.0 114.197 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 94.52 9.24 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-N 111.686 -2.507 . . . . 10.0 110.806 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.543 ' CD1' ' HG3' ' A' ' 108' ' ' GLN . 7.0 tp -107.04 138.04 43.97 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.695 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -131.28 95.04 3.68 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 127.962 3.289 . . . . 10.0 113.421 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.12 133.1 35.07 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 125.29 1.619 . . . . 10.0 111.155 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -126.62 140.19 52.61 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-N 115.096 -0.956 . . . . 10.0 110.811 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -155.95 114.56 3.44 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 127.627 3.079 . . . . 10.0 111.415 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.59 19.91 4.91 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 112.868 -1.969 . . . . 10.0 112.268 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.51 -14.72 64.11 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 111.241 -2.709 . . . . 10.0 112.108 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.5 t -79.68 130.46 36.01 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.955 0 O-C-N 125.579 1.399 . . . . 10.0 108.009 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 55.0 m -97.1 131.65 43.66 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 112.69 -2.05 . . . . 10.0 113.509 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -124.29 118.3 26.48 Favored 'General case' 0 C--N 1.341 0.204 0 O-C-N 125.661 1.851 . . . . 10.0 108.577 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -114.72 114.7 25.97 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 126.098 2.124 . . . . 10.0 112.956 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -106.34 155.29 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 127.819 3.199 . . . . 10.0 108.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.92 124.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 O-C-N 125.062 1.476 . . . . 10.0 113.263 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.408 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 52.7 m-85 -116.91 118.48 32.57 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 122.455 1.122 . . . . 10.0 109.728 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 tmtp? -82.38 127.87 33.68 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 123.982 1.849 . . . . 10.0 109.688 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 136.69 36.57 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.933 -1.03 . . . . 10.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' ' 9' ' ' LYS . 1.7 t -125.28 1.2 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 114.315 -1.311 . . . . 10.0 113.913 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.429 ' CD2' ' N ' ' A' ' 134' ' ' HIS . 10.6 m-70 . . . . . 0 C--O 1.242 0.693 0 CA-C-O 113.516 -3.135 . . . . 10.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.542 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.51 2.446 0 CA-C-O 122.196 0.832 . . . . 10.0 111.774 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.82 114.19 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-N 113.392 -1.731 . . . . 10.0 111.503 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.14 130.8 56.86 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.354 -1.293 . . . . 10.0 109.738 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.586 ' HB3' HG21 ' A' ' 42' ' ' ILE . 5.2 m-30 -101.86 -16.94 16.41 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 127.799 3.187 . . . . 10.0 114.043 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -54.36 115.45 2.1 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 126.157 2.161 . . . . 10.0 113.683 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.71 -171.78 31.16 Favored Glycine 0 C--O 1.216 -0.996 0 CA-C-O 125.316 2.62 . . . . 10.0 112.517 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.441 ' C ' ' CG ' ' A' ' 8' ' ' TRP . 8.1 m-85 -103.92 143.1 33.3 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 112.67 -1.765 . . . . 10.0 113.313 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.736 ' CE3' HD13 ' A' ' 115' ' ' LEU . 10.1 m95 -146.79 146.11 30.14 Favored 'General case' 0 CA--C 1.501 -0.929 1 O-C-N 129.154 4.034 . . . . 10.0 110.169 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -128.8 156.65 43.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 128.045 3.341 . . . . 10.0 110.302 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.65 128.96 41.67 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 128.112 3.383 . . . . 10.0 110.76 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.98 -60.74 1.62 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 110.069 -3.241 . . . . 10.0 111.653 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -144.48 150.12 37.08 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 112.609 -2.087 . . . . 10.0 109.584 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -101.53 -178.59 3.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 124.145 1.926 . . . . 10.0 109.979 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -173.7 114.84 0.22 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 111.897 -2.41 . . . . 10.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 57.38 33.49 23.36 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 124.957 2.313 . . . . 10.0 112.564 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 78.3 t80 -78.45 -25.97 46.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.331 -2.213 . . . . 10.0 108.414 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -75.41 -39.62 58.78 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 128.013 3.321 . . . . 10.0 111.985 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.16 -25.78 60.94 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.635 2.46 . . . . 10.0 112.028 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.75 -29.0 50.82 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.374 -2.194 . . . . 10.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.56 -30.58 66.04 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.301 -2.227 . . . . 10.0 113.097 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -71.71 -25.26 62.01 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 113.666 -1.606 . . . . 10.0 114.307 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 122' ' ' GLU . . . -71.31 -27.83 63.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.494 1.14 . . . . 10.0 112.554 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -97.04 7.7 46.09 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 125.296 2.474 . . . . 10.0 107.986 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER 51.29 44.52 28.79 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-N 113.379 -1.737 . . . . 10.0 114.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.41 132.41 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.173 0 CA-C-N 113.153 -1.84 . . . . 10.0 111.511 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -45.44 153.82 0.22 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 125.74 2.686 . . . . 10.0 114.998 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 27' ' ' VAL . 6.5 t -68.99 -28.72 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 CA-C-N 111.28 -2.691 . . . . 10.0 113.193 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.84 47.8 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 124.734 2.207 . . . . 10.0 111.633 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -29.76 66.94 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 111.172 -2.74 . . . . 10.0 111.525 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -75.39 -33.48 61.01 Favored 'General case' 0 CA--C 1.507 -0.709 0 O-C-N 125.938 2.024 . . . . 10.0 113.065 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -34.01 77.07 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 127.156 2.785 . . . . 10.0 111.418 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -78.52 -34.17 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.009 0 CA-C-N 109.44 -3.527 . . . . 10.0 112.109 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -66.72 -23.84 66.16 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-O 124.151 1.929 . . . . 10.0 112.593 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -70.86 -28.06 64.29 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.631 -1.293 . . . . 10.0 112.59 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.5 mt -90.61 -37.16 13.98 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 126.986 2.679 . . . . 10.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.23 166.91 17.12 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 110.562 -3.017 . . . . 10.0 114.215 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.94 68.13 0.07 OUTLIER Pre-proline 0 C--O 1.21 -1.003 0 CA-C-N 110.499 -3.046 . . . . 10.0 108.488 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -56.23 170.6 1.11 Allowed 'Trans proline' 0 C--O 1.21 -0.92 0 O-C-N 126.064 2.613 . . . . 10.0 113.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.6 OUTLIER -99.31 138.62 36.15 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 111.927 -2.397 . . . . 10.0 111.43 -179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -105.19 130.85 53.25 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-N 109.925 -3.307 . . . . 10.0 108.969 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -125.31 97.86 5.39 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.571 -1.195 . . . . 10.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' A' ' 4' ' ' PHE . 4.3 mp -82.64 131.34 33.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 C-N-CA 119.568 -0.853 . . . . 10.0 112.242 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 t -125.51 88.39 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 126.203 2.189 . . . . 10.0 111.314 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -86.15 141.33 29.45 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 113.36 -1.745 . . . . 10.0 110.408 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -156.23 66.15 0.57 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 126.181 2.175 . . . . 10.0 113.084 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.94 98.63 0.03 OUTLIER Glycine 0 C--O 1.213 -1.168 0 CA-C-N 110.943 -2.844 . . . . 10.0 109.17 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 72.85 -58.78 0.59 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 127.607 2.592 . . . . 10.0 110.686 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -59.57 139.73 56.91 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.668 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.9 ttm -152.9 89.81 1.41 Allowed 'General case' 0 CA--C 1.506 -0.713 1 O-C-N 129.107 4.004 . . . . 10.0 111.479 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 52' ' ' ARG . 3.1 mt -84.6 126.19 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 112.093 -2.321 . . . . 10.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 51' ' ' ILE . 3.3 mt -110.28 89.4 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 127.663 3.102 . . . . 10.0 109.136 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HG3' HG22 ' A' ' 50' ' ' ILE . 7.9 mtm180 -85.65 126.95 34.32 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 127.837 3.21 . . . . 10.0 114.898 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.512 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 m -114.07 96.26 5.72 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-O 125.471 2.557 . . . . 10.0 111.463 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -77.48 115.67 17.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.165 -3.198 . . . . 10.0 114.611 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 p -158.91 132.38 7.36 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 111.874 -2.421 . . . . 10.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 p -47.99 -31.5 5.41 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 112.407 -2.178 . . . . 10.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -64.99 -57.61 8.27 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 128.103 3.377 . . . . 10.0 113.983 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -157.45 129.53 7.16 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 123.118 1.437 . . . . 10.0 111.425 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -81.01 103.51 10.88 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.531 -1.668 . . . . 10.0 108.842 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.512 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 46.9 t80 -102.52 108.39 19.68 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 125.711 1.882 . . . . 10.0 113.352 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.44 126.07 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 112.147 -2.297 . . . . 10.0 111.678 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.51 120.49 5.72 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 112.742 -2.026 . . . . 10.0 112.62 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -64.41 159.39 21.4 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 126.394 2.309 . . . . 10.0 107.426 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.9 OUTLIER -114.55 -47.5 2.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 127.047 2.717 . . . . 10.0 113.028 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 60.36 99.06 0.03 OUTLIER 'General case' 0 C--O 1.211 -0.968 0 O-C-N 125.795 1.934 . . . . 10.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.924 HG22 HG11 ' A' ' 86' ' ' VAL . 1.7 t -82.73 132.86 30.38 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 O-C-N 127.8 3.187 . . . . 10.0 110.539 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.15 -13.9 66.54 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 112.141 -2.3 . . . . 10.0 114.009 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.95 170.27 8.15 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 123.777 1.751 . . . . 10.0 109.918 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -81.67 118.49 22.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.015 -2.812 . . . . 10.0 107.7 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -99.5 148.18 24.52 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 112.592 -2.094 . . . . 10.0 115.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.83 77.77 1.14 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 112.984 -1.917 . . . . 10.0 112.684 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -49.65 139.2 13.01 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 126.087 2.117 . . . . 10.0 113.738 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -130.17 109.28 10.68 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 111.014 -2.812 . . . . 10.0 113.052 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 mt -98.57 19.89 13.81 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 111.368 -2.651 . . . . 10.0 112.187 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.5 133.87 40.94 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.345 2.278 . . . . 10.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.487 ' C ' HD12 ' A' ' 77' ' ' ILE . . . 114.99 -22.49 12.39 Favored Glycine 0 C--O 1.21 -1.392 0 CA-C-O 125.954 2.974 . . . . 10.0 108.56 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.566 HG22 ' N ' ' A' ' 78' ' ' ASP . 1.5 mp -101.7 -68.68 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.713 -2.244 . . . . 10.0 109.464 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.566 ' N ' HG22 ' A' ' 77' ' ' ILE . 37.2 t70 -124.3 3.77 8.47 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 126.412 2.32 . . . . 10.0 112.709 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.31 64.44 1.36 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-O 123.283 1.516 . . . . 10.0 108.81 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.93 164.48 29.88 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 111.094 -2.776 . . . . 10.0 108.299 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.81 133.03 0.2 Allowed 'General case' 0 C--O 1.209 -1.029 0 O-C-N 125.047 1.467 . . . . 10.0 110.484 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.0 m -146.4 175.96 10.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 O-C-N 126.882 2.614 . . . . 10.0 110.679 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.8 mtm -80.87 155.62 26.47 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 111.139 -2.755 . . . . 10.0 108.111 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -154.6 160.82 41.7 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 110.914 -2.857 . . . . 10.0 113.479 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.3 131.02 8.97 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 124.2 1.953 . . . . 10.0 111.281 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.924 HG11 HG22 ' A' ' 66' ' ' VAL . 89.9 t -99.19 148.23 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-N 110.864 -2.88 . . . . 10.0 110.084 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.3 p -157.04 -177.6 6.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 113.536 -1.665 . . . . 10.0 113.123 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -118.83 137.54 53.34 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-N 110.704 -2.953 . . . . 10.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -137.5 39.71 2.44 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 111.794 -2.457 . . . . 10.0 111.238 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 131.8 -98.77 0.38 Allowed Glycine 0 C--O 1.219 -0.79 0 CA-C-O 125.089 2.494 . . . . 10.0 110.785 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.15 -51.68 2.84 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 110.973 -2.614 . . . . 10.0 108.797 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' CG ' ' HB2' ' A' ' 109' ' ' TRP . 0.2 OUTLIER -57.39 153.25 12.85 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 111.53 -2.577 . . . . 10.0 113.896 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 93' ' ' LEU . 7.5 tt -104.45 85.43 2.35 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 111.221 -2.718 . . . . 10.0 107.714 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.91 149.82 23.15 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 110.423 -3.081 . . . . 10.0 113.724 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.671 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -146.12 123.22 11.46 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 112.676 -2.057 . . . . 10.0 111.395 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.23 146.68 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 112.176 -2.284 . . . . 10.0 109.367 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -110.83 133.26 53.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 107.327 -1.36 . . . . 10.0 107.327 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -96.84 29.06 3.17 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 127.937 3.273 . . . . 10.0 115.374 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.25 -177.86 4.22 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 112.756 -2.02 . . . . 10.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.83 -10.31 24.94 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.644 1.688 . . . . 10.0 111.827 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -83.16 -168.18 1.98 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 110.832 -2.895 . . . . 10.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -132.9 119.34 20.05 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.521 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.61 -28.77 6.34 Favored Glycine 0 C--N 1.332 0.337 0 N-CA-C 109.87 -1.292 . . . . 10.0 109.87 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -50.41 135.58 21.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.088 1.423 . . . . 10.0 111.406 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.29 140.67 2.94 Favored Glycine 0 C--O 1.209 -1.453 0 CA-C-N 111.999 -2.364 . . . . 10.0 111.515 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.458 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -104.11 158.83 16.16 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 112.348 -1.926 . . . . 10.0 114.829 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -159.36 146.49 16.97 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.336 -2.665 . . . . 10.0 112.086 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' NE2' ' CE2' ' A' ' 4' ' ' PHE . 7.1 tt0 -167.33 148.55 5.64 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.415 -1.266 . . . . 10.0 113.441 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.498 ' HB2' ' CG ' ' A' ' 92' ' ' LYS . 13.1 t-105 -162.88 136.17 5.85 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 110.368 -3.106 . . . . 10.0 109.114 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 47.9 mt -94.82 130.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 O-C-N 127.058 2.724 . . . . 10.0 114.804 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.4 98.14 5.62 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 111.375 -2.648 . . . . 10.0 109.174 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.01 -118.43 5.37 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-N 111.303 -2.68 . . . . 10.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -111.91 42.6 1.71 Allowed 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 114.107 -1.047 . . . . 10.0 111.63 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -150.93 133.7 15.77 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.27 -1.332 . . . . 10.0 114.308 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.736 HD13 ' CE3' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -92.77 112.92 25.04 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 112.612 -2.085 . . . . 10.0 110.006 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -124.16 92.99 3.78 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 124.257 1.98 . . . . 10.0 114.479 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 118' ' ' GLU . 3.0 pp -90.81 173.62 7.9 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 122.747 1.26 . . . . 10.0 108.985 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 117' ' ' LEU . 28.5 mt-10 -140.86 92.1 2.47 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 110.854 -2.885 . . . . 10.0 111.923 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mtp -86.77 138.08 31.9 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 113.026 -1.897 . . . . 10.0 111.798 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 59.6 mtt180 -134.01 162.62 31.58 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 127.724 3.14 . . . . 10.0 110.282 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 165.4 133.7 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 125.529 1.768 . . . . 10.0 111.653 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.661 ' HB2' ' HB1' ' A' ' 22' ' ' ALA . 1.9 mm-40 55.37 36.25 26.7 Favored 'General case' 0 CA--C 1.5 -0.957 0 O-C-N 126.536 2.397 . . . . 10.0 114.41 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.02 20.04 78.71 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-N 114.922 -1.035 . . . . 10.0 111.529 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.63 136.13 54.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 O-C-N 125.999 1.646 . . . . 10.0 109.139 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 25.6 m -116.19 141.27 48.36 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 126.193 2.183 . . . . 10.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.8 p -150.1 149.06 29.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 125.602 1.814 . . . . 10.0 109.225 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 122.68 16.96 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 113.527 -1.67 . . . . 10.0 114.22 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -100.2 136.65 39.77 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 125.961 2.038 . . . . 10.0 108.46 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.42 94.72 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-O 125.854 2.74 . . . . 10.0 110.996 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -89.74 170.14 10.69 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 111.539 -2.573 . . . . 10.0 111.782 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -154.39 135.57 13.98 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.991 -1.459 . . . . 10.0 113.966 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -59.11 153.38 18.15 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 114.121 -1.399 . . . . 10.0 111.165 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 t -134.16 -52.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 CA-C-N 113.765 -1.561 . . . . 10.0 110.331 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.506 -0.721 0 CA-C-O 115.131 -2.366 . . . . 10.0 108.527 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.665 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo . . . . . 0 N--CA 1.502 1.975 0 N-CA-C 113.066 0.372 . . . . 10.0 113.066 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 t -70.83 124.51 27.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 O-C-N 128.916 3.885 . . . . 10.0 108.044 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.41 119.88 23.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.236 -1.347 . . . . 10.0 114.071 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -103.21 -5.29 23.29 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.302 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -61.18 153.09 26.9 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 125.136 2.398 . . . . 10.0 110.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 114.7 -173.67 14.95 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 112.456 -2.156 . . . . 10.0 110.06 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.451 ' CD1' ' HG2' ' A' ' 41' ' ' GLU . 8.0 m-85 -115.38 121.93 44.29 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 114.351 -0.925 . . . . 10.0 112.867 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.736 ' CD2' HD13 ' A' ' 115' ' ' LEU . 4.8 m0 -105.97 112.39 25.41 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 126.657 2.473 . . . . 10.0 111.719 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HB3' HG21 ' A' ' 133' ' ' VAL . 13.6 pttp -93.39 148.32 22.16 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.009 -1.108 . . . . 10.0 108.009 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttm -90.82 144.23 25.92 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 123.644 1.688 . . . . 10.0 113.752 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -108.03 -39.87 5.39 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 111.339 -2.664 . . . . 10.0 112.368 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.2 t -171.57 -179.0 2.42 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 112.912 -1.949 . . . . 10.0 111.184 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.46 147.43 19.01 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 112.681 -2.054 . . . . 10.0 110.322 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -117.87 138.24 52.25 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 113.225 -1.807 . . . . 10.0 112.979 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 61.03 34.05 19.42 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 123.317 1.532 . . . . 10.0 109.703 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.778 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 11.3 t80 -69.59 -41.04 76.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 113.723 -1.581 . . . . 10.0 111.853 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.87 -29.84 62.32 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.958 -0.565 . . . . 10.0 112.01 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.31 -30.07 60.24 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 125.419 1.699 . . . . 10.0 111.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CZ ' ' HE1' ' A' ' 119' ' ' MET . 0.5 OUTLIER -73.32 -30.61 63.48 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 110.753 -2.93 . . . . 10.0 112.833 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.6 -40.47 56.45 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 125.921 2.013 . . . . 10.0 111.683 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -21.55 63.92 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.383 2.302 . . . . 10.0 113.9 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.15 58.48 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.997 -2.365 . . . . 10.0 112.672 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -97.75 20.1 12.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 O-C-N 125.454 1.721 . . . . 10.0 114.184 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 57.76 43.35 22.07 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 113.392 -1.731 . . . . 10.0 114.158 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 29' ' ' LEU . 5.6 t -78.95 150.97 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 CA-C-N 111.052 -2.795 . . . . 10.0 113.72 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -67.96 151.16 47.54 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-O 123.655 1.693 . . . . 10.0 112.431 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -67.26 -21.86 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 114.915 1.45 . . . . 10.0 114.915 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.57 -34.17 53.78 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 110.784 -2.916 . . . . 10.0 110.365 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -77.28 -22.68 51.68 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 111.89 -2.414 . . . . 10.0 109.995 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -30.26 42.43 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.067 2.729 . . . . 10.0 111.731 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -69.72 -38.42 76.89 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 110.544 -3.026 . . . . 10.0 113.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.62 HG23 ' CZ ' ' A' ' 57' ' ' PHE . 45.8 mt -77.08 -25.13 15.33 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 111.868 -2.424 . . . . 10.0 111.986 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -71.4 -31.06 66.83 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 125.344 2.497 . . . . 10.0 113.569 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.32 -26.71 61.16 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 111.025 -2.807 . . . . 10.0 113.21 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -104.33 14.44 30.22 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 110.421 -3.081 . . . . 10.0 112.158 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mt -98.79 128.18 44.94 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 114.169 -1.378 . . . . 10.0 112.407 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -143.28 64.53 14.12 Favored Pre-proline 0 N--CA 1.449 -0.522 0 CA-C-N 113.777 -1.556 . . . . 10.0 113.062 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -74.85 152.3 41.38 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-N 114.308 -0.997 . . . . 10.0 114.127 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -110.22 120.24 41.8 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 110.353 -3.112 . . . . 10.0 108.3 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -82.35 156.47 24.22 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 124.891 2.282 . . . . 10.0 110.671 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' HG2' ' CD1' ' A' ' 7' ' ' TYR . 70.5 mt-10 -140.06 103.76 4.69 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 110.272 -3.149 . . . . 10.0 110.618 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.503 HD12 ' CH2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -100.67 147.41 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 CA-C-N 110.621 -2.99 . . . . 10.0 110.792 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -150.03 90.97 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.108 0 O-C-N 128.614 3.696 . . . . 10.0 113.186 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -86.55 118.0 25.69 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 110.007 -3.269 . . . . 10.0 108.407 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -119.01 42.45 2.81 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.617 -1.174 . . . . 10.0 113.846 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.9 106.73 0.21 Allowed Glycine 0 C--N 1.348 1.231 0 N-CA-C 108.92 -1.672 . . . . 10.0 108.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 70.56 -66.13 0.3 Allowed 'General case' 0 C--N 1.343 0.316 0 O-C-N 125.523 1.367 . . . . 10.0 108.26 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -63.57 149.77 45.56 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 126.403 2.314 . . . . 10.0 109.201 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 ttp -153.53 153.02 31.61 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 127.512 3.007 . . . . 10.0 111.948 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.65 146.24 33.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 127.282 2.864 . . . . 10.0 109.829 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.468 HD13 ' O1 ' ' A' ' 135' ' ' RTL . 11.7 mt -137.2 100.58 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.668 1.187 . . . . 10.0 108.354 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -103.96 112.78 25.9 Favored 'General case' 0 C--O 1.208 -1.079 0 O-C-N 128.922 3.889 . . . . 10.0 114.58 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 m -98.8 108.91 21.72 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-O 124.111 1.91 . . . . 10.0 109.164 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.49 93.66 7.33 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 110.733 -2.939 . . . . 10.0 114.703 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.02 41.17 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 110.628 -2.987 . . . . 10.0 108.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -88.42 54.72 3.14 Favored 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 125.595 1.809 . . . . 10.0 112.876 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.62 ' CZ ' HG23 ' A' ' 32' ' ' ILE . 32.4 m-85 -143.85 -71.45 0.29 Allowed 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 127.406 2.941 . . . . 10.0 112.281 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 4.98 1.98 Allowed 'General case' 0 CA--C 1.494 -1.183 0 C-N-CA 116.998 -1.881 . . . . 10.0 115.645 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.3 172.74 0.13 Allowed 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 117.315 -1.754 . . . . 10.0 113.651 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 177.3 105.71 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.847 1.785 . . . . 10.0 112.305 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.93 138.99 53.14 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 CA-C-N 113.855 -1.52 . . . . 10.0 112.92 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 mtp -146.56 158.37 43.89 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.181 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.4 46.64 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 125.269 1.605 . . . . 10.0 107.962 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.29 93.86 4.34 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 115.589 1.7 . . . . 10.0 115.589 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.3 93.35 1.48 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 113.255 -1.793 . . . . 10.0 108.481 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.32 133.65 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 CA-C-N 114.616 -1.174 . . . . 10.0 113.804 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.39 -15.13 62.02 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 127.501 3.001 . . . . 10.0 113.982 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -106.67 154.0 21.58 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 125.352 1.266 . . . . 10.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.7 126.4 52.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.082 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -142.06 176.62 8.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.731 -1.122 . . . . 10.0 113.258 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.22 156.79 33.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 114.921 -1.036 . . . . 10.0 111.657 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' OE2' HD21 ' A' ' 74' ' ' LEU . 1.1 tp10 -136.43 100.95 4.51 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 125.799 1.937 . . . . 10.0 108.855 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.36 111.31 23.67 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 115.112 1.523 . . . . 10.0 115.112 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.439 HD21 ' OE2' ' A' ' 72' ' ' GLU . 23.0 mt -113.32 56.9 0.68 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.051 -1.886 . . . . 10.0 109.167 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.8 15.97 10.21 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 112.551 -2.113 . . . . 10.0 114.123 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.675 ' O ' HD13 ' A' ' 77' ' ' ILE . . . -131.32 12.33 5.5 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 113.66 -1.609 . . . . 10.0 110.781 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -132.51 -61.71 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.02 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.97 15.3 1.72 Allowed 'General case' 0 CA--C 1.502 -0.887 0 O-C-N 127.713 3.133 . . . . 10.0 113.647 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 37.16 87.97 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.964 0 O-C-N 125.876 1.985 . . . . 10.0 114.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -58.69 2.12 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 114.628 1.344 . . . . 10.0 114.628 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mttt 68.99 107.34 0.05 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 128.937 3.898 . . . . 10.0 108.468 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.8 -168.13 2.9 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 126.728 2.518 . . . . 10.0 112.556 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mmt -124.82 147.39 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 125.14 1.525 . . . . 10.0 107.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 96' ' ' VAL . 10.6 m -143.18 143.39 31.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 124.622 2.153 . . . . 10.0 113.557 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.1 m -141.22 132.67 26.84 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.011 -2.359 . . . . 10.0 110.059 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.1 t -100.92 115.47 42.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 127.853 3.221 . . . . 10.0 110.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.31 137.38 46.39 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 113.499 -1.682 . . . . 10.0 109.136 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 116.08 21.43 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 127.209 2.818 . . . . 10.0 108.159 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.8 -4.87 15.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 127.864 3.227 . . . . 10.0 111.8 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.41 138.32 3.92 Favored Glycine 0 C--O 1.218 -0.869 0 O-C-N 125.092 1.495 . . . . 10.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.89 -74.44 0.07 Allowed 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 125.853 1.561 . . . . 10.0 111.472 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.16 146.63 24.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.386 2.929 . . . . 10.0 108.29 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.46 145.56 24.41 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 125.855 1.972 . . . . 10.0 111.966 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -123.42 122.09 37.4 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 126.313 2.258 . . . . 10.0 112.777 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.2 m -124.38 92.53 3.68 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 114.263 -1.335 . . . . 10.0 109.09 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 84' ' ' THR . 76.2 t -90.76 139.54 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 124.54 1.15 . . . . 10.0 111.026 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 104' ' ' ARG . 9.3 tt0 -115.53 109.26 17.55 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.343 -2.208 . . . . 10.0 108.849 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.19 108.49 16.47 Favored 'General case' 0 C--O 1.207 -1.154 0 CA-C-O 122.905 1.335 . . . . 10.0 114.211 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.42 -137.15 3.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 110.719 -2.946 . . . . 10.0 111.704 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.12 -43.09 3.61 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 113.457 -1.372 . . . . 10.0 114.232 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.0 169.98 15.81 Favored 'General case' 0 C--O 1.215 -0.719 0 O-C-N 125.889 1.993 . . . . 10.0 113.82 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -84.95 165.39 17.65 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 109.842 -3.345 . . . . 10.0 109.694 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.01 -98.05 2.11 Favored Glycine 0 C--O 1.213 -1.183 0 CA-C-N 111.315 -2.675 . . . . 10.0 109.717 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER 25.72 69.95 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.781 1 O-C-N 130.046 4.027 . . . . 10.0 111.994 -179.981 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.89 111.17 0.39 Allowed Glycine 0 C--N 1.351 1.371 0 CA-C-N 111.528 -2.578 . . . . 10.0 114.461 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.697 ' CE3' HD21 ' A' ' 117' ' ' LEU . 10.7 m0 -90.32 138.02 31.87 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 124.995 2.331 . . . . 10.0 112.968 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.93 115.0 22.9 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 112.193 -2.276 . . . . 10.0 112.069 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -89.02 152.27 21.79 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.932 -1.94 . . . . 10.0 110.978 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -161.42 96.53 1.07 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 115.303 -0.862 . . . . 10.0 112.513 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.06 152.13 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 113.376 -1.738 . . . . 10.0 109.993 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -160.2 97.43 1.25 Allowed 'General case' 0 C--N 1.345 0.38 0 CA-C-N 114.037 -1.438 . . . . 10.0 112.398 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 58.39 -104.14 0.44 Allowed Glycine 0 C--O 1.207 -1.541 0 O-C-N 126.238 2.211 . . . . 10.0 113.329 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.08 42.97 3.07 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.307 1.527 . . . . 10.0 110.042 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -157.37 127.39 6.25 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 111.835 -2.439 . . . . 10.0 113.058 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.736 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -103.53 104.8 14.9 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 113.208 -1.814 . . . . 10.0 109.512 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -91.74 80.94 5.26 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.334 0.865 . . . . 10.0 113.334 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.697 HD21 ' CE3' ' A' ' 106' ' ' TRP . 1.1 tp -81.51 141.21 34.03 Favored 'General case' 0 CA--C 1.509 -0.635 0 CA-C-O 125.763 2.696 . . . . 10.0 113.648 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -106.98 109.58 21.51 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 109.753 -3.385 . . . . 10.0 108.292 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.53 ' HG3' ' CZ2' ' A' ' 106' ' ' TRP . 0.8 OUTLIER -107.43 119.68 40.09 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 125.575 1.797 . . . . 10.0 115.112 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -115.89 142.52 46.67 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.775 -1.557 . . . . 10.0 109.899 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -167.59 105.9 0.53 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.491 -1.231 . . . . 10.0 112.672 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.48 36.67 2.17 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 110.234 -3.166 . . . . 10.0 114.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.58 -1.12 89.19 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 112.716 -2.038 . . . . 10.0 111.615 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.65 123.13 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 C-N-CA 118.87 -1.132 . . . . 10.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 74.3 m -91.84 122.07 34.03 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.691 2.495 . . . . 10.0 112.818 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 130.25 41.3 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 127.638 3.086 . . . . 10.0 109.306 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -119.68 114.73 22.63 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 123.717 1.722 . . . . 10.0 114.109 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -93.64 140.29 29.8 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 113.936 -1.484 . . . . 10.0 108.589 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.42 114.08 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 CA-C-N 113.514 -1.676 . . . . 10.0 114.648 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.45 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 10.0 m-30 -101.21 175.52 5.56 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.62 -0.832 . . . . 10.0 112.123 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.464 ' HB2' HD12 ' A' ' 11' ' ' LEU . 10.4 tptm -154.33 109.62 3.13 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 122.984 1.374 . . . . 10.0 108.814 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -55.25 108.42 0.41 Allowed 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.418 -1.719 . . . . 10.0 113.474 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 9' ' ' LYS . 23.6 t -81.59 -24.75 9.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 126.802 2.564 . . . . 10.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 113.541 -3.123 . . . . 10.0 111.944 179.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.558 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 N--CA 1.499 1.812 0 N-CA-C 108.628 -1.335 . . . . 10.0 108.628 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.483 ' CG2' ' CZ2' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -31.73 104.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.493 1 O-C-N 130.21 4.694 . . . . 10.0 113.767 -179.935 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.03 107.65 12.99 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-O 126.645 3.117 . . . . 10.0 113.059 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 93' ' ' LEU . 1.5 m-85 -99.97 -7.75 24.77 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.839 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.39 142.42 55.43 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 125.449 1.718 . . . . 10.0 110.466 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.75 -158.13 27.58 Favored Glycine 0 CA--C 1.497 -1.033 0 CA-C-N 111.288 -2.687 . . . . 10.0 113.015 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 41' ' ' GLU . 3.1 m-85 -130.34 99.36 5.0 Favored 'General case' 0 CA--C 1.496 -1.135 0 O-C-N 127.02 2.247 . . . . 10.0 113.094 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.762 ' CD2' HD13 ' A' ' 115' ' ' LEU . 1.1 m0 -98.0 135.82 39.16 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 123.814 1.768 . . . . 10.0 110.074 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.99 157.27 38.26 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 110.831 -2.895 . . . . 10.0 108.822 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -55.11 179.99 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 127.608 3.068 . . . . 10.0 114.047 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -162.37 -51.98 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.276 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -164.15 165.84 21.77 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 125.603 1.814 . . . . 10.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -120.34 117.33 27.5 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 111.51 -2.586 . . . . 10.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.74 129.01 54.3 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.694 -1.593 . . . . 10.0 112.492 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 47.3 37.75 6.29 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 125.476 1.735 . . . . 10.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.616 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 29.6 t80 -78.86 -21.35 47.66 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-N 113.649 -1.614 . . . . 10.0 111.658 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.67 -45.85 28.02 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 114.115 1.154 . . . . 10.0 114.115 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -21.87 64.38 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.048 2.832 . . . . 10.0 113.849 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 80.1 t80 -75.78 -30.23 59.04 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 111.832 -2.44 . . . . 10.0 114.412 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' HG11 ' A' ' 25' ' ' VAL . 42.5 mt -74.05 -28.75 61.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 128.972 3.92 . . . . 10.0 113.022 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -72.99 -22.37 60.69 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 110.423 -3.08 . . . . 10.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.5 67.49 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.127 1.517 . . . . 10.0 114.359 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.69 12.73 34.4 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 112.491 -2.14 . . . . 10.0 114.459 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 49.38 30.96 3.55 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 124.089 1.9 . . . . 10.0 114.487 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.425 HG11 ' HB3' ' A' ' 20' ' ' LEU . 1.2 p -62.42 147.33 11.69 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 CA-C-N 111.998 -2.364 . . . . 10.0 110.652 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.54 149.07 14.35 Favored 'General case' 0 CA--C 1.503 -0.848 0 O-C-N 127.025 2.703 . . . . 10.0 111.41 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.77 -26.05 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-N 111.315 -2.675 . . . . 10.0 114.142 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.02 -41.58 61.61 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 125.457 2.551 . . . . 10.0 112.475 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.3 tp -71.51 -29.59 64.96 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 112.323 -2.217 . . . . 10.0 112.823 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -74.37 -24.37 59.13 Favored 'General case' 0 CA--C 1.514 -0.422 0 O-C-N 126.35 2.281 . . . . 10.0 110.273 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -78.21 -39.83 39.31 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 110.793 -2.912 . . . . 10.0 109.43 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.561 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 15.4 mt -74.51 -36.59 42.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 126.971 2.669 . . . . 10.0 112.978 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -69.15 -21.65 63.99 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.367 1.247 . . . . 10.0 114.367 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.84 -29.49 64.46 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 127.454 2.971 . . . . 10.0 109.836 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.6 mt -89.6 -24.77 21.6 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.765 1.394 . . . . 10.0 114.765 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD12 ' HD3' ' A' ' 38' ' ' PRO . 4.0 pp -96.66 166.42 11.67 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 126.572 2.42 . . . . 10.0 114.983 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -150.92 102.11 3.03 Favored Pre-proline 0 C--O 1.214 -0.802 0 O-C-N 128.611 3.694 . . . . 10.0 107.684 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HD3' HD12 ' A' ' 36' ' ' LEU . 9.2 Cg_endo -77.05 147.8 26.97 Favored 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-O 126.746 2.728 . . . . 10.0 115.539 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -108.23 128.55 54.82 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-N 110.13 -3.214 . . . . 10.0 109.019 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HB3' HD11 ' A' ' 42' ' ' ILE . 7.3 mttt -107.26 144.42 34.09 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.629 1.344 . . . . 10.0 114.629 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 7' ' ' TYR . 8.9 mt-10 -125.22 101.71 7.12 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 112.264 -2.244 . . . . 10.0 108.496 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.524 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 4.6 mp -106.71 142.86 18.55 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.867 0 CA-C-O 124.588 2.137 . . . . 10.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.31 139.38 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 CA-C-N 109.963 -3.29 . . . . 10.0 111.388 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -128.88 102.09 6.38 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.871 -2.877 . . . . 10.0 108.816 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -88.44 -33.16 17.95 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 114.335 -1.302 . . . . 10.0 111.363 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.49 -92.91 0.09 OUTLIER Glycine 0 C--O 1.211 -1.288 0 O-C-N 127.052 2.72 . . . . 10.0 113.033 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.72 -45.79 27.98 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.855 -2.672 . . . . 10.0 110.723 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -89.3 164.04 15.09 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.836 -2.438 . . . . 10.0 112.825 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.7 ttm -156.08 102.59 2.15 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.104 -1.407 . . . . 10.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 50' ' ' ILE . 21.7 mt -87.22 136.14 23.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 125.746 1.904 . . . . 10.0 110.098 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mt -114.81 128.9 71.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 128.39 3.556 . . . . 10.0 110.291 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -117.7 123.53 46.3 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 111.214 -2.721 . . . . 10.0 110.144 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -119.77 118.38 30.69 Favored 'General case' 0 CA--C 1.494 -1.203 0 O-C-N 128.441 3.588 . . . . 10.0 108.897 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mt -106.29 90.9 3.5 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.191 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 93.0 p -103.17 0.59 31.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 124.412 2.054 . . . . 10.0 109.783 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 57' ' ' PHE . 0.8 OUTLIER 72.48 -61.58 0.49 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 111.827 -2.442 . . . . 10.0 110.106 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.612 ' N ' HG22 ' A' ' 56' ' ' THR . 0.5 OUTLIER -49.57 -46.61 49.14 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 123.988 1.851 . . . . 10.0 110.82 179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.01 107.48 2.08 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-N 113.381 -1.736 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 59' ' ' ASN . 1.2 m120 -83.14 140.86 32.36 Favored 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 126.097 2.123 . . . . 10.0 109.829 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.446 ' C ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -116.8 115.8 26.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 113.576 -1.647 . . . . 10.0 110.4 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 61' ' ' ILE . 4.2 mp -129.66 118.91 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.168 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.818 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 mtt -137.25 157.92 45.56 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 110.47 -3.059 . . . . 10.0 108.337 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -112.13 95.14 5.29 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 125.801 2.715 . . . . 10.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.9 150.34 46.86 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 110.691 -2.959 . . . . 10.0 111.547 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' A' ' 68' ' ' LYS . 31.5 mt-30 -137.74 109.02 6.85 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 112.189 -2.278 . . . . 10.0 111.011 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -68.82 122.48 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 O-C-N 127.727 3.142 . . . . 10.0 113.371 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.77 -2.85 87.75 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 112.927 -1.942 . . . . 10.0 114.473 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 65' ' ' GLN . 1.2 ttmt -114.31 147.58 38.86 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 122.259 1.028 . . . . 10.0 111.347 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.87 141.73 28.1 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 112.972 -1.922 . . . . 10.0 113.759 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 20.9 p90 -161.35 163.7 30.54 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 126.775 2.547 . . . . 10.0 110.556 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.78 158.79 35.47 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.281 1.613 . . . . 10.0 112.811 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.62 96.3 3.13 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 111.306 -2.679 . . . . 10.0 111.95 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.81 107.9 19.57 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 110.813 -2.903 . . . . 10.0 112.602 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ASP . 16.5 mt -102.94 62.05 0.8 Allowed 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 109.893 -3.321 . . . . 10.0 112.305 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -104.33 24.74 11.09 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 125.317 2.484 . . . . 10.0 112.714 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.16 17.63 5.36 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 109.886 -3.324 . . . . 10.0 109.757 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 77' ' ' ILE . 33.1 mt -151.06 -60.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 112.92 -1.64 . . . . 10.0 114.336 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -131.74 -1.37 3.81 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 115.836 1.791 . . . . 10.0 115.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' LEU . 18.3 m-20 51.59 95.24 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 124.167 1.937 . . . . 10.0 114.711 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.08 128.08 0.05 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 110.642 -2.981 . . . . 10.0 112.126 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -90.83 135.6 33.62 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 125.401 1.688 . . . . 10.0 112.379 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.6 m -147.21 171.55 15.2 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 112.83 -1.986 . . . . 10.0 111.843 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 mtp -115.46 151.62 34.44 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.81 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 m -132.56 147.22 52.35 Favored 'General case' 0 CA--C 1.497 -1.077 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.32 127.14 23.77 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 124.502 1.121 . . . . 10.0 109.709 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.1 t -103.02 136.43 35.65 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.114 0 CA-C-O 125.541 2.591 . . . . 10.0 109.87 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.81 147.25 33.84 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 111.018 -2.81 . . . . 10.0 112.191 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.483 ' CZ2' ' CG2' ' A' ' 2' ' ' VAL . 37.7 m0 -95.83 153.57 17.68 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 113.932 -1.485 . . . . 10.0 109.732 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -123.57 -57.53 1.64 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 113.752 -1.567 . . . . 10.0 112.671 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.53 83.63 0.1 Allowed Glycine 0 C--O 1.21 -1.405 0 O-C-N 126.571 2.42 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 52.96 32.71 13.16 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.356 -2.422 . . . . 10.0 111.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -142.17 122.95 14.32 Favored 'General case' 0 C--O 1.214 -0.771 0 O-C-N 127.624 3.078 . . . . 10.0 108.688 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 93' ' ' LEU . 9.4 tt -88.95 107.69 19.16 Favored 'General case' 0 C--O 1.213 -0.867 0 O-C-N 126.531 2.394 . . . . 10.0 110.223 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.89 165.5 11.15 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 125.827 1.954 . . . . 10.0 110.435 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.8 t -137.2 104.66 5.47 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 125.597 1.811 . . . . 10.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 96' ' ' VAL . 24.6 t -99.99 100.86 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 109.823 -3.353 . . . . 10.0 113.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -103.29 114.55 28.93 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 111.202 -2.726 . . . . 10.0 107.986 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -64.21 -64.46 0.88 Allowed 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.131 1.52 . . . . 10.0 112.422 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 44.42 -142.65 2.87 Favored Glycine 0 N--CA 1.471 1.026 0 O-C-N 124.89 1.369 . . . . 10.0 112.814 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -113.56 148.43 36.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 113.437 -1.382 . . . . 10.0 112.93 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt 68.92 179.11 0.24 Allowed 'General case' 0 C--O 1.217 -0.608 0 O-C-N 128.09 3.368 . . . . 10.0 109.57 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -97.76 163.87 12.63 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 126.692 2.495 . . . . 10.0 109.643 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.01 -40.88 2.27 Favored Glycine 0 C--N 1.346 1.098 0 O-C-N 125.526 1.766 . . . . 10.0 112.644 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -39.89 130.33 2.02 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.096 1.704 . . . . 10.0 112.213 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.93 141.97 6.19 Favored Glycine 0 CA--C 1.497 -1.054 0 O-C-N 126.672 2.483 . . . . 10.0 112.22 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -117.32 -177.65 3.27 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-O 126.888 3.232 . . . . 10.0 114.135 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.61 146.61 19.66 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 110.605 -2.998 . . . . 10.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 162.26 32.51 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.89 -2.868 . . . . 10.0 110.069 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -170.06 119.69 0.61 Allowed 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 112.992 -1.913 . . . . 10.0 110.376 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 79.9 mt -87.64 109.02 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.67 -1.15 . . . . 10.0 113.477 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.39 118.29 26.37 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 127.862 3.226 . . . . 10.0 114.308 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 56.64 -100.93 0.12 Allowed Glycine 0 C--N 1.345 1.063 0 CA-C-N 111.695 -2.502 . . . . 10.0 111.202 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.94 31.11 4.23 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-O 124.085 1.897 . . . . 10.0 112.234 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -125.31 165.0 19.13 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.02 -2.354 . . . . 10.0 109.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.762 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.31 75.9 1.46 Allowed 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 128.351 3.532 . . . . 10.0 109.227 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -69.33 115.98 9.23 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.805 -2.907 . . . . 10.0 112.105 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.69 123.34 48.07 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 111.161 -2.745 . . . . 10.0 108.193 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.44 100.72 8.99 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 127.757 3.161 . . . . 10.0 111.521 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 25.4 mtp -90.37 138.25 31.7 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 127.341 2.901 . . . . 10.0 110.342 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 mtp-105 -129.18 140.99 51.29 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 126.49 2.369 . . . . 10.0 109.152 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -176.27 121.9 0.16 Allowed 'General case' 0 C--O 1.215 -0.724 0 O-C-N 125.352 1.657 . . . . 10.0 112.815 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.59 25.66 13.18 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 111.313 -2.676 . . . . 10.0 112.125 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.69 9.21 87.06 Favored Glycine 0 CA--C 1.499 -0.908 0 CA-C-N 113.532 -1.667 . . . . 10.0 112.693 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.4 t -101.28 139.74 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-N 112.796 -1.702 . . . . 10.0 108.467 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 m -110.48 127.61 55.23 Favored 'General case' 0 CA--C 1.496 -1.128 0 O-C-N 125.412 1.695 . . . . 10.0 115.03 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 19' ' ' TYR . 36.5 t -136.26 125.05 23.94 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.027 -2.806 . . . . 10.0 109.004 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -117.29 83.83 2.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 112.499 -2.137 . . . . 10.0 114.168 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -69.5 136.57 51.62 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 118.335 -1.346 . . . . 10.0 107.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.91 149.37 12.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 CA-C-O 126.498 3.047 . . . . 10.0 113.815 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -149.83 133.52 16.78 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 109.925 -3.307 . . . . 10.0 111.368 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 2.3 tptm -112.5 104.75 12.86 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.524 1.765 . . . . 10.0 114.969 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 131.51 50.22 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.28 -1.327 . . . . 10.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.57 -41.76 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 N-CA-C 114.99 1.478 . . . . 10.0 114.99 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 . . . . . 0 C--O 1.259 1.589 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.213 -179.771 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.655 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo . . . . . 0 N--CA 1.494 1.547 0 N-CA-C 109.619 -0.954 . . . . 10.0 109.619 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 t -144.74 23.89 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.145 0 O-C-N 127.874 3.234 . . . . 10.0 112.077 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.97 104.27 0.03 OUTLIER 'General case' 0 C--O 1.21 -0.999 1 O-C-N 130.708 5.005 . . . . 10.0 113.338 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.73 -11.95 52.35 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 112.585 -2.098 . . . . 10.0 111.378 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -63.52 114.3 3.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 113.458 -1.701 . . . . 10.0 109.618 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.57 -156.27 26.49 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 111.348 -2.66 . . . . 10.0 111.522 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -124.35 100.55 6.74 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 111.539 -2.33 . . . . 10.0 108.673 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' CZ3' HD12 ' A' ' 115' ' ' LEU . 7.1 m95 -104.53 121.66 43.94 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 119.922 -0.711 . . . . 10.0 111.661 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -95.2 173.35 7.6 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.826 -1.988 . . . . 10.0 108.753 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mtm -125.57 124.53 41.47 Favored 'General case' 0 C--O 1.211 -0.937 1 O-C-N 130.049 4.593 . . . . 10.0 108.2 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.6 mm? -110.02 -40.34 4.77 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 126.205 2.907 . . . . 10.0 115.398 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.0 p -135.88 170.02 16.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 109.473 -3.512 . . . . 10.0 114.821 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.51 176.24 8.14 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 110.91 -2.859 . . . . 10.0 108.438 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -147.92 -53.48 0.2 Allowed 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.933 2.646 . . . . 10.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -134.58 35.14 3.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 128.34 3.525 . . . . 10.0 114.511 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 12.7 t80 -68.33 -25.2 64.99 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 125.704 2.668 . . . . 10.0 114.349 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.81 -35.94 62.46 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.572 -2.104 . . . . 10.0 109.307 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -25.03 44.56 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-O 123.972 1.844 . . . . 10.0 113.519 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.45 ' HB2' ' HB2' ' A' ' 126' ' ' CYS . 66.4 t80 -73.02 -24.74 60.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.738 -2.483 . . . . 10.0 113.874 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.655 HD21 H182 ' A' ' 135' ' ' RTL . 74.7 mt -79.58 -33.34 41.78 Favored 'General case' 0 CA--C 1.493 -1.223 0 CA-C-O 124.181 1.944 . . . . 10.0 112.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -25.38 62.47 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 123.857 1.789 . . . . 10.0 110.266 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.19 62.66 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.23 6.69 17.54 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 124.682 1.239 . . . . 10.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.97 84.31 0.11 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 125.061 2.362 . . . . 10.0 112.16 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 20' ' ' LEU . 35.8 t -116.65 144.5 24.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-N 113.379 -1.737 . . . . 10.0 109.646 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' O ' HG12 ' A' ' 25' ' ' VAL . 35.9 m120 -61.99 154.9 25.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 110.923 -2.853 . . . . 10.0 111.93 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.2 -25.61 34.3 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-O 124.303 2.001 . . . . 10.0 114.733 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -76.77 -31.31 56.96 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 112.012 -2.358 . . . . 10.0 114.129 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tp -79.05 -23.32 44.32 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 111.144 -2.753 . . . . 10.0 112.005 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -76.98 -24.06 52.28 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -34.49 59.21 Favored 'General case' 0 CA--C 1.501 -0.937 0 O-C-N 124.605 1.19 . . . . 10.0 110.812 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.2 mt -78.01 -27.09 14.77 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 CA-C-O 124.189 1.947 . . . . 10.0 112.152 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -76.33 -24.29 54.28 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 111.522 -2.581 . . . . 10.0 112.11 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -80.04 -32.46 39.46 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.002 2.81 . . . . 10.0 108.928 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 mt -81.79 -0.33 42.72 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 111.379 -2.646 . . . . 10.0 111.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.1 mt -104.63 130.36 52.65 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 123.403 1.573 . . . . 10.0 113.287 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -152.72 63.25 4.79 Favored Pre-proline 0 C--O 1.208 -1.089 0 CA-C-N 113.131 -1.849 . . . . 10.0 109.518 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 172.63 13.94 Favored 'Trans proline' 0 CA--C 1.498 -1.317 0 C-N-CA 122.572 2.181 . . . . 10.0 111.393 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.6 132.0 54.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 111.314 -2.675 . . . . 10.0 109.413 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HE2' ' CE2' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -87.97 128.71 35.38 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 111.436 -2.62 . . . . 10.0 111.428 179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -110.56 99.97 8.85 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 113.093 -1.867 . . . . 10.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 42' ' ' ILE . 7.2 mm -88.91 137.03 22.02 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-O 121.893 0.854 . . . . 10.0 112.558 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -137.56 73.89 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-N 111.782 -2.463 . . . . 10.0 111.414 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.83 146.04 33.91 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 125.841 2.734 . . . . 10.0 113.413 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -151.98 75.79 1.16 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-N 110.552 -3.022 . . . . 10.0 111.683 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.96 -91.59 0.01 OUTLIER Glycine 0 C--O 1.211 -1.32 0 CA-C-N 112.626 -2.079 . . . . 10.0 114.104 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.06 49.78 0.81 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.116 -0.542 . . . . 10.0 110.579 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.762 ' CE1' HD11 ' A' ' 50' ' ' ILE . 17.4 t-160 -175.42 111.11 0.12 Allowed 'General case' 0 C--N 1.349 0.573 0 O-C-N 128.017 3.323 . . . . 10.0 111.162 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.5 mtp -130.88 90.79 2.95 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.873 1.358 . . . . 10.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.762 HD11 ' CE1' ' A' ' 48' ' ' HIS . 57.5 mt -81.74 122.22 36.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 126.216 2.197 . . . . 10.0 113.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 64' ' ' PHE . 3.0 mt -108.68 123.95 64.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.112 0 CA-C-N 113.348 -1.751 . . . . 10.0 111.288 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -118.29 144.88 45.48 Favored 'General case' 0 C--O 1.212 -0.868 0 CA-C-N 111.753 -2.476 . . . . 10.0 112.681 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -123.0 98.58 5.96 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 109.708 -3.406 . . . . 10.0 110.436 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -89.71 88.77 7.51 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 113.824 -1.534 . . . . 10.0 112.448 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 p -97.77 -43.01 7.33 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 127.603 3.064 . . . . 10.0 112.278 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER 93.87 9.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.703 1 O-C-N 129.551 4.282 . . . . 10.0 111.636 179.907 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -59.38 2.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 109.8 -3.364 . . . . 10.0 109.701 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -156.2 49.38 0.5 Allowed 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 110.344 -3.116 . . . . 10.0 111.013 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -10.57 107.24 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.669 1 O-C-N 129.7 4.375 . . . . 10.0 115.044 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.38 111.43 23.78 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 113.112 -1.858 . . . . 10.0 114.835 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.75 126.41 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 113.488 -1.687 . . . . 10.0 109.788 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.4 mtp -125.82 123.66 39.2 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.368 3.542 . . . . 10.0 114.59 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -92.53 71.51 5.07 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 126.563 2.415 . . . . 10.0 108.683 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -72.8 88.52 1.32 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 124.245 1.974 . . . . 10.0 113.854 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 44.4 mt-30 -90.14 116.78 28.41 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 113.052 -1.886 . . . . 10.0 109.119 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 124.09 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.71 0 CA-C-N 114.22 -1.355 . . . . 10.0 113.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 5.34 73.86 Favored Glycine 0 C--N 1.339 0.733 0 O-C-N 126.219 2.199 . . . . 10.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -112.6 141.57 46.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 112.338 -1.931 . . . . 10.0 111.259 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.24 137.37 48.07 Favored 'General case' 0 C--O 1.209 -1.049 0 O-C-N 126.697 2.498 . . . . 10.0 112.854 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 38.0 p90 -156.96 177.38 11.57 Favored 'General case' 0 C--O 1.207 -1.138 0 CA-C-N 110.31 -3.132 . . . . 10.0 114.029 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.82 150.39 29.21 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 125.762 2.696 . . . . 10.0 114.244 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -114.63 146.79 40.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 111.319 -2.673 . . . . 10.0 109.666 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.47 106.32 10.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 110.415 -3.084 . . . . 10.0 111.648 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 77' ' ' ILE . 1.4 mp -97.04 37.23 1.33 Allowed 'General case' 0 C--O 1.21 -1.022 0 O-C-N 126.232 2.208 . . . . 10.0 110.45 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -0.14 19.6 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.943 -1.026 . . . . 10.0 113.634 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.64 19.8 6.99 Favored Glycine 0 C--O 1.219 -0.788 0 N-CA-C 108.66 -1.776 . . . . 10.0 108.66 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.781 HG23 H183 ' A' ' 135' ' ' RTL . 11.3 mt -134.75 -60.84 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-O 123.434 1.587 . . . . 10.0 109.337 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.81 20.72 0.32 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.954 -1.93 . . . . 10.0 114.106 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER 37.92 81.47 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 125.414 1.696 . . . . 10.0 114.214 -179.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.479 ' HD2' ' CE ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -116.04 -60.46 1.86 Allowed 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 126.966 2.666 . . . . 10.0 113.969 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.99 107.22 0.07 Allowed 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 128.259 3.474 . . . . 10.0 110.481 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.456 ' HB3' ' HA3' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -133.37 -171.54 2.73 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 111.209 -2.723 . . . . 10.0 112.787 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 10.0 mtt -104.71 177.63 4.79 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 110.735 -2.938 . . . . 10.0 107.651 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.493 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -162.92 139.31 7.32 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 127.92 3.262 . . . . 10.0 113.678 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.68 148.97 30.68 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 109.783 -3.371 . . . . 10.0 109.441 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 64' ' ' PHE . 2.8 t -135.23 137.7 49.77 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.009 0 CA-C-N 112.09 -2.323 . . . . 10.0 111.559 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -132.53 173.01 11.77 Favored 'General case' 0 C--O 1.217 -0.653 1 O-C-N 129.919 4.512 . . . . 10.0 110.009 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -130.03 120.82 25.32 Favored 'General case' 0 CA--C 1.506 -0.719 0 O-C-N 126.496 2.373 . . . . 10.0 112.573 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -119.85 94.99 4.58 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.246 -1.797 . . . . 10.0 113.983 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.75 -128.69 8.77 Favored Glycine 0 CA--C 1.5 -0.849 0 O-C-N 126.39 2.306 . . . . 10.0 111.102 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.64 28.52 5.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 111.252 -2.474 . . . . 10.0 110.083 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -131.4 167.3 19.53 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.609 -1.632 . . . . 10.0 109.464 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 108' ' ' GLN . 2.3 tp -132.07 128.9 39.2 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.307 -1.315 . . . . 10.0 111.384 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.83 140.29 34.62 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 126.493 2.371 . . . . 10.0 107.85 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 168.65 12.54 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 110.996 -2.82 . . . . 10.0 111.791 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.44 144.82 22.04 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 113.032 -1.895 . . . . 10.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -145.93 83.54 1.64 Allowed 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.599 -3.0 . . . . 10.0 109.91 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 113.12 21.69 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 125.029 2.347 . . . . 10.0 113.318 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' A' ' 82' ' ' CYS . . . -138.64 61.57 0.57 Allowed Glycine 0 C--O 1.211 -1.341 0 N-CA-C 107.913 -2.075 . . . . 10.0 107.913 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.28 83.71 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 124.071 1.891 . . . . 10.0 113.481 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' CE ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -166.34 171.2 12.31 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.964 -2.38 . . . . 10.0 111.479 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -106.82 129.48 54.66 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 128.008 3.317 . . . . 10.0 112.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 44.24 77.25 0.1 OUTLIER Glycine 0 C--O 1.208 -1.507 0 CA-C-O 126.017 3.01 . . . . 10.0 113.973 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -177.28 3.47 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 109.059 -3.57 . . . . 10.0 108.657 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.71 146.01 11.69 Favored Glycine 0 N--CA 1.472 1.096 0 CA-C-N 112.307 -2.224 . . . . 10.0 111.846 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -101.82 158.77 15.88 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 112.696 -1.752 . . . . 10.0 109.937 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.566 HG23 ' N ' ' A' ' 108' ' ' GLN . 0.4 OUTLIER -146.8 169.88 18.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 126.236 2.21 . . . . 10.0 108.842 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.613 ' HB2' HD23 ' A' ' 93' ' ' LEU . 2.3 mt-30 -149.82 149.7 30.9 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 126.355 2.285 . . . . 10.0 109.983 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -158.55 139.9 13.32 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 113.291 -1.777 . . . . 10.0 111.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.5 127.11 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 125.878 1.986 . . . . 10.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -98.75 -44.28 6.46 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.325 1.536 . . . . 10.0 114.159 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 155.23 100.75 0.18 Allowed Glycine 0 C--O 1.21 -1.388 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.921 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.43 28.98 14.46 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 112.532 -1.834 . . . . 10.0 110.397 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.84 93.88 0.15 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 125.477 2.561 . . . . 10.0 108.885 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.532 HD12 ' CZ3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -66.23 161.85 21.26 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 111.45 -2.614 . . . . 10.0 110.56 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -152.1 143.33 23.27 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 109.69 -3.414 . . . . 10.0 111.989 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 159.9 41.96 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 127.225 2.828 . . . . 10.0 113.073 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.4 121.69 37.26 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 112.108 -2.315 . . . . 10.0 109.101 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.5 mtp -107.64 116.49 32.05 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 111.795 -2.457 . . . . 10.0 112.002 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 61.9 mtt180 -127.24 167.32 16.26 Favored 'General case' 0 CA--C 1.498 -1.025 0 O-C-N 125.979 2.05 . . . . 10.0 111.764 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 162.09 128.47 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 127.02 2.7 . . . . 10.0 109.327 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.5 22.26 5.23 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 126.863 2.602 . . . . 10.0 113.413 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.03 10.97 85.99 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 126.164 2.165 . . . . 10.0 113.968 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.1 t -113.35 135.11 53.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.105 0 CA-C-N 113.208 -1.496 . . . . 10.0 109.409 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 126' ' ' CYS . 0.4 OUTLIER -111.47 166.71 10.9 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 125.744 1.902 . . . . 10.0 114.841 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.486 ' N ' HG23 ' A' ' 125' ' ' THR . 7.8 t -164.06 131.16 3.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 111.45 -2.613 . . . . 10.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -125.27 146.14 49.68 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 125.687 1.867 . . . . 10.0 114.234 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 135.56 44.12 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 128.649 3.718 . . . . 10.0 113.907 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 130' ' ' PHE . 9.0 t -99.8 154.42 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 126.378 2.299 . . . . 10.0 109.199 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.512 ' N ' HG12 ' A' ' 129' ' ' VAL . 2.9 m-85 -133.55 167.56 20.24 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 127.935 3.272 . . . . 10.0 112.965 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -143.53 115.18 8.15 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 127.249 2.843 . . . . 10.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 154.58 35.32 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.351 -1.749 . . . . 10.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.03 -54.34 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 127.846 3.216 . . . . 10.0 110.136 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.247 0.962 0 CA-C-N 111.503 -2.59 . . . . 10.0 114.214 -179.747 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.781 H183 HG23 ' A' ' 77' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo . . . . . 0 N--CA 1.511 2.538 0 N-CA-C 108.853 -1.249 . . . . 10.0 108.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG12 HD12 ' A' ' 110' ' ' ILE . 4.8 t -73.37 97.76 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 CA-C-N 113.916 -1.493 . . . . 10.0 112.648 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -53.14 146.47 11.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 124.77 2.224 . . . . 10.0 112.11 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -136.11 76.99 1.63 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 111.19 -2.732 . . . . 10.0 108.492 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -149.3 107.6 3.77 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 110.641 -2.981 . . . . 10.0 110.359 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 164.54 -166.62 37.98 Favored Glycine 0 C--O 1.221 -0.678 0 C-N-CA 118.828 -1.653 . . . . 10.0 113.402 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 4.0 m-85 -116.23 102.49 9.62 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.672 2.042 . . . . 10.0 112.881 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 4.1 m95 -107.93 123.66 48.96 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.523 -1.217 . . . . 10.0 111.47 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -114.29 154.75 27.43 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 128.166 3.416 . . . . 10.0 109.48 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.6 ttm -78.84 152.64 31.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 111.422 -2.626 . . . . 10.0 114.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt -130.28 -48.55 1.09 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 113.954 -1.476 . . . . 10.0 113.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.8 m -148.5 166.47 28.11 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 125.459 1.724 . . . . 10.0 113.367 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -116.11 -165.9 1.09 Allowed 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 109.794 -3.366 . . . . 10.0 107.812 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -162.3 -54.84 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 128.511 3.632 . . . . 10.0 112.949 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -141.32 25.24 2.07 Favored 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.387 2.929 . . . . 10.0 109.861 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.546 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 73.6 t80 -71.87 -25.48 61.96 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 112.882 -1.963 . . . . 10.0 112.585 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.04 -34.09 61.82 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.322 1.534 . . . . 10.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.39 -30.18 61.85 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 112.566 -2.106 . . . . 10.0 112.875 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 23' ' ' LEU . 2.1 t80 -70.14 -28.33 65.27 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 109.7 -3.409 . . . . 10.0 114.104 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.525 ' CD2' H182 ' A' ' 135' ' ' RTL . 41.5 mt -66.2 -21.5 66.31 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 126.316 2.96 . . . . 10.0 114.059 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -71.32 -42.52 68.51 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.42 -2.173 . . . . 10.0 113.452 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -23.91 46.4 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-O 125.521 2.582 . . . . 10.0 115.415 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 25' ' ' VAL . 56.5 mt -101.76 -1.47 32.35 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.272 -2.24 . . . . 10.0 112.058 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.16 21.98 11.09 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.882 -1.963 . . . . 10.0 111.534 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 23' ' ' LEU . 9.3 t -59.2 124.66 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 126.93 2.644 . . . . 10.0 107.503 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.86 140.94 0.1 Allowed 'General case' 0 C--O 1.221 -0.402 0 O-C-N 126.691 2.494 . . . . 10.0 112.261 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.23 -23.82 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.203 0 N-CA-C 115.134 1.531 . . . . 10.0 115.134 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.36 29.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 110.493 -3.049 . . . . 10.0 111.533 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -33.99 77.1 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 111.866 -2.425 . . . . 10.0 114.026 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -74.96 -27.41 60.16 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 112.603 -2.09 . . . . 10.0 109.635 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -37.87 67.53 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 126.103 2.858 . . . . 10.0 110.185 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.444 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -75.55 -29.12 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 111.37 -2.65 . . . . 10.0 109.931 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -62.2 -22.46 65.94 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 126.953 2.658 . . . . 10.0 113.956 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.13 -34.13 74.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 112.749 -2.023 . . . . 10.0 113.923 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.14 28.37 8.82 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 123.701 1.715 . . . . 10.0 111.231 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -119.6 109.5 15.76 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 109.855 -3.338 . . . . 10.0 109.843 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -140.39 85.35 13.47 Favored Pre-proline 0 CA--C 1.501 -0.923 0 CA-C-N 111.206 -2.725 . . . . 10.0 110.002 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -85.0 167.43 10.98 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 123.843 3.029 . . . . 10.0 109.064 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.85 143.27 45.39 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 110.094 -3.23 . . . . 10.0 108.78 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -101.92 145.31 29.42 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.513 1.149 . . . . 10.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -132.27 85.64 2.26 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 114.003 -1.453 . . . . 10.0 108.95 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.1 mt -82.83 137.28 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 CA-C-N 110.857 -2.883 . . . . 10.0 114.633 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -135.15 101.58 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 125.034 2.35 . . . . 10.0 109.684 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -92.87 136.64 33.07 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 112.009 -2.36 . . . . 10.0 110.133 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -144.35 46.76 1.4 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.636 -1.62 . . . . 10.0 114.053 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 131.31 -128.66 5.46 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-O 125.445 2.692 . . . . 10.0 112.239 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -19.07 54.39 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 112.881 -1.66 . . . . 10.0 111.248 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 17.6 m170 -101.63 165.7 11.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 128.322 3.514 . . . . 10.0 111.784 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.5 ttm -165.35 104.57 0.74 Allowed 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 113.358 -1.746 . . . . 10.0 111.397 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.51 116.76 28.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 O-C-N 128.642 3.714 . . . . 10.0 110.574 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.544 HD12 ' HB2' ' A' ' 64' ' ' PHE . 4.2 mt -106.91 137.07 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 127.903 3.252 . . . . 10.0 109.573 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HB2' HG13 ' A' ' 61' ' ' ILE . 10.1 ptt180 -148.09 128.74 14.17 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 117.839 -1.544 . . . . 10.0 113.397 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.2 m -94.23 132.21 39.03 Favored 'General case' 0 CA--C 1.509 -0.628 1 O-C-N 129.294 4.121 . . . . 10.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.461 HD23 HD22 ' A' ' 59' ' ' ASN . 13.8 mt -120.67 116.82 26.04 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 112.12 -2.309 . . . . 10.0 113.971 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.26 140.86 18.91 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.183 -1.826 . . . . 10.0 109.779 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -18.77 64.37 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.319 2.887 . . . . 10.0 109.254 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HB2' HD21 ' A' ' 36' ' ' LEU . 9.1 t80 -78.83 -33.24 46.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.513 0.673 . . . . 10.0 110.003 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -179.95 134.99 0.11 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 112.089 -2.323 . . . . 10.0 112.649 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.461 HD22 HD23 ' A' ' 54' ' ' LEU . 8.5 m120 -102.8 106.23 16.79 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.832 -2.44 . . . . 10.0 108.548 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -109.76 99.6 8.73 Favored 'General case' 0 CA--C 1.498 -1.032 0 O-C-N 126.782 2.551 . . . . 10.0 114.191 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 52' ' ' ARG . 2.9 mt -105.37 144.33 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.788 0 CA-C-N 111.473 -2.603 . . . . 10.0 110.97 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.8 mtm -151.1 166.84 29.56 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 125.739 2.685 . . . . 10.0 111.574 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.36 116.87 27.1 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.848 -2.887 . . . . 10.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -99.46 139.2 35.46 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 124.198 1.952 . . . . 10.0 110.56 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HG2' ' CD2' ' A' ' 48' ' ' HIS . 1.7 mp0 -134.03 114.92 13.72 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 111.666 -2.515 . . . . 10.0 108.656 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.67 123.8 37.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 CA-C-O 123.549 1.643 . . . . 10.0 110.507 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.45 12.13 65.41 Favored Glycine 0 C--O 1.21 -1.373 0 CA-C-N 112.389 -2.187 . . . . 10.0 110.309 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -120.98 145.76 47.4 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 123.622 1.677 . . . . 10.0 111.262 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.42 125.42 53.85 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.944 -1.48 . . . . 10.0 110.186 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 8.1 p90 -160.56 169.44 22.94 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.262 0.976 . . . . 10.0 111.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.35 143.14 55.26 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 112.34 -2.209 . . . . 10.0 111.411 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.693 ' O ' HD12 ' A' ' 74' ' ' LEU . 7.7 tt0 -123.1 78.8 1.6 Allowed 'General case' 0 C--O 1.213 -0.821 0 O-C-N 127.254 2.846 . . . . 10.0 109.563 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -54.18 96.65 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 109.854 -3.339 . . . . 10.0 109.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -101.0 47.33 0.92 Allowed 'General case' 0 C--O 1.207 -1.183 0 CA-C-O 124.472 2.082 . . . . 10.0 108.132 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 m -83.41 0.51 45.78 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.95 1.77 33.65 Favored Glycine 0 C--O 1.208 -1.477 0 CA-C-O 123.13 1.405 . . . . 10.0 110.182 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.437 HG23 H183 ' A' ' 135' ' ' RTL . 2.9 mt -127.96 -74.08 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 113.042 -1.579 . . . . 10.0 113.322 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -137.16 28.14 2.84 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-O 117.074 -1.441 . . . . 10.0 111.671 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.6 p-10 28.97 70.26 0.07 Allowed 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 128.71 3.756 . . . . 10.0 112.185 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -130.53 36.79 3.9 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 114.836 -1.075 . . . . 10.0 113.093 -179.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 115.93 0.16 Allowed 'General case' 0 C--O 1.213 -0.866 0 O-C-N 128.915 3.885 . . . . 10.0 112.433 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 80' ' ' ARG . 1.6 m -148.42 -172.99 4.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 127.152 2.782 . . . . 10.0 111.826 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.4 mtm -88.92 141.04 28.83 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.749 1.388 . . . . 10.0 114.749 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.3 m -141.18 127.24 19.48 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 111.319 -2.673 . . . . 10.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 m -122.61 139.7 53.63 Favored 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 127.004 2.69 . . . . 10.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.703 HG22 ' HB2' ' A' ' 95' ' ' CYS . 87.4 t -111.89 146.07 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 113.793 -1.549 . . . . 10.0 112.434 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 t -123.4 160.82 25.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 112.842 -1.981 . . . . 10.0 109.791 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -120.61 77.18 1.25 Allowed 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 123.676 1.703 . . . . 10.0 109.201 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.76 -33.78 76.42 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 112.471 -2.15 . . . . 10.0 114.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.89 126.73 2.64 Favored Glycine 0 C--O 1.213 -1.169 0 CA-C-N 111.608 -2.542 . . . . 10.0 110.308 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.22 -86.41 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 O-C-N 126.046 1.674 . . . . 10.0 107.668 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -57.49 129.03 40.0 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 125.901 2.001 . . . . 10.0 111.255 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tp -95.64 105.46 17.45 Favored 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 124.248 0.968 . . . . 10.0 109.482 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.54 143.66 40.57 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 123.383 1.563 . . . . 10.0 109.293 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.703 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -132.19 140.08 48.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 111.004 -2.816 . . . . 10.0 110.503 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.76 146.25 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-N 112.32 -2.218 . . . . 10.0 111.064 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.83 157.86 36.5 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.208 -2.269 . . . . 10.0 108.747 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -111.63 -71.47 0.76 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 125.151 1.532 . . . . 10.0 109.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 52.31 -144.44 19.65 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 119.405 -1.379 . . . . 10.0 111.899 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.58 16.27 4.4 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 128.264 2.979 . . . . 10.0 111.2 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -108.99 161.3 15.29 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-N 114.865 -1.061 . . . . 10.0 113.121 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -84.36 84.11 7.75 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.774 2.546 . . . . 10.0 114.279 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.02 -109.16 0.72 Allowed Glycine 0 C--N 1.346 1.097 0 CA-C-N 112.563 -2.108 . . . . 10.0 112.802 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 48.43 92.24 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.702 0 O-C-N 127.089 2.288 . . . . 10.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.2 90.43 0.09 OUTLIER Glycine 0 C--O 1.213 -1.183 0 O-C-N 127.245 2.841 . . . . 10.0 113.022 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.629 ' CH2' H203 ' A' ' 135' ' ' RTL . 21.0 m0 -64.85 167.49 7.51 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 111.811 -2.194 . . . . 10.0 114.105 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 60.6 m -158.78 122.14 3.81 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 128.732 3.77 . . . . 10.0 108.39 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.55 141.09 47.58 Favored 'General case' 0 CA--C 1.496 -1.127 0 O-C-N 126.209 2.193 . . . . 10.0 111.699 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -162.23 109.28 1.32 Allowed 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 124.447 2.07 . . . . 10.0 110.353 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.644 HD12 HG12 ' A' ' 2' ' ' VAL . 83.1 mt -69.93 138.1 22.74 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 CA-C-N 112.643 -2.071 . . . . 10.0 111.838 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 63.24 1.34 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 125.528 1.767 . . . . 10.0 110.654 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.59 -132.28 11.2 Favored Glycine 0 C--O 1.219 -0.811 0 O-C-N 125.511 1.757 . . . . 10.0 111.75 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -78.54 -9.37 59.31 Favored 'General case' 0 CA--C 1.503 -0.841 0 O-C-N 126.699 2.058 . . . . 10.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.496 ' OE2' HG13 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -119.28 132.13 55.86 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 125.122 1.514 . . . . 10.0 111.549 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.37 149.55 22.95 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 113.872 -1.513 . . . . 10.0 111.019 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.652 ' C ' HD23 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -142.51 137.49 30.26 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 127.207 2.817 . . . . 10.0 112.588 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -145.11 147.64 32.75 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 112.511 -2.131 . . . . 10.0 111.395 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -108.82 77.33 1.07 Allowed 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 125.137 2.399 . . . . 10.0 111.481 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 18.8 mtm -68.52 146.9 52.71 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 111.904 -2.407 . . . . 10.0 109.763 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -144.79 155.67 43.63 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 111.401 -2.636 . . . . 10.0 112.201 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -179.13 122.24 0.08 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 123.055 1.407 . . . . 10.0 114.495 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 59.34 25.64 14.35 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 113.002 -1.908 . . . . 10.0 112.19 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.96 80.8 Favored Glycine 0 N--CA 1.474 1.187 0 CA-C-N 114.732 -1.122 . . . . 10.0 113.658 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.4 t -95.43 126.91 47.81 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 CA-C-O 124.237 1.97 . . . . 10.0 109.691 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 36.9 m -110.21 144.2 39.23 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 124.961 2.315 . . . . 10.0 109.992 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 133.74 22.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 109.608 -3.451 . . . . 10.0 110.634 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -109.17 86.65 2.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 126.765 2.54 . . . . 10.0 113.768 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 145.45 55.73 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 128.199 3.437 . . . . 10.0 108.811 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.648 HG22 ' CE1' ' A' ' 116' ' ' HIS . 94.4 t -123.12 129.05 75.23 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.914 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.258 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -127.44 172.15 10.93 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 124.876 1.36 . . . . 10.0 109.284 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -149.08 130.25 14.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 124.725 2.202 . . . . 10.0 113.26 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -68.63 116.0 8.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.314 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 52.9 t -73.38 -35.12 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-N 111.726 -2.488 . . . . 10.0 109.476 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 CA--C 1.513 -0.48 0 O-C-N 127.422 2.951 . . . . 10.0 113.625 179.716 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.629 H203 ' CH2' ' A' ' 106' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.511 2.505 0 CA-C-O 123.54 1.391 . . . . 10.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -80.18 -26.9 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 112.364 -2.198 . . . . 10.0 109.387 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 t70 58.19 99.67 0.02 OUTLIER 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 111.245 -2.707 . . . . 10.0 113.486 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -77.12 -22.28 52.92 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.263 1.982 . . . . 10.0 111.81 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.77 138.77 41.44 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 110.712 -2.949 . . . . 10.0 108.454 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.78 -176.96 18.96 Favored Glycine 0 C--O 1.217 -0.947 0 O-C-N 126.492 2.37 . . . . 10.0 108.942 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -113.55 126.21 55.05 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 119.018 -1.073 . . . . 10.0 113.195 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.674 ' CE3' HD13 ' A' ' 115' ' ' LEU . 0.8 OUTLIER -105.46 140.46 38.53 Favored 'General case' 0 C--O 1.217 -0.622 0 O-C-N 127.118 2.761 . . . . 10.0 110.008 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -136.62 134.88 37.83 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 125.503 2.573 . . . . 10.0 109.286 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.2 mmm -61.27 152.07 30.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 110.329 -3.123 . . . . 10.0 114.584 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.008 HD12 HG12 ' A' ' 129' ' ' VAL . 86.0 mt -120.72 -52.76 2.11 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 126.488 2.368 . . . . 10.0 108.957 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -165.93 161.88 17.84 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 128.687 3.742 . . . . 10.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.96 -178.71 3.73 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 112.531 -2.122 . . . . 10.0 107.98 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -146.23 -57.18 0.29 Allowed 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 113.875 -1.511 . . . . 10.0 110.445 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -130.69 32.17 4.42 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 126.472 2.358 . . . . 10.0 111.203 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -72.91 -27.86 62.12 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-O 122.855 1.312 . . . . 10.0 109.389 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.13 -50.62 18.62 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 113.29 -1.777 . . . . 10.0 112.822 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.6 -25.25 62.96 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.668 -2.06 . . . . 10.0 112.16 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -67.64 -22.77 65.31 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 111.624 -2.535 . . . . 10.0 112.911 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 20' ' ' LEU . 22.7 mt -77.99 -26.49 48.67 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-O 123.809 1.766 . . . . 10.0 109.757 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -70.63 -26.77 63.63 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 113.301 -1.772 . . . . 10.0 112.773 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -69.17 -38.56 78.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 111.186 -2.733 . . . . 10.0 112.258 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' OD2' ' A' ' 78' ' ' ASP . 48.9 mt -92.19 8.7 36.86 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 112.944 -1.935 . . . . 10.0 112.689 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.15 34.91 18.75 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 112.709 -2.041 . . . . 10.0 113.068 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.5 138.88 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 CA-C-N 114.534 -1.212 . . . . 10.0 111.816 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -48.61 157.28 0.38 Allowed 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 111.919 -2.401 . . . . 10.0 111.564 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG13 ' H ' ' A' ' 27' ' ' VAL . 1.8 m -73.4 -21.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 110.831 -2.895 . . . . 10.0 111.811 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.62 76.02 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.379 2.924 . . . . 10.0 113.417 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.641 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.8 OUTLIER -73.84 -25.42 60.06 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.91 -2.859 . . . . 10.0 111.556 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -71.1 -32.2 68.73 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 124.816 1.322 . . . . 10.0 111.094 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -45.62 64.44 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 128.756 3.785 . . . . 10.0 112.768 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.435 HG22 HD12 ' A' ' 36' ' ' LEU . 32.1 mt -72.49 -24.15 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 110.053 -3.249 . . . . 10.0 112.529 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.69 67.83 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 126.347 2.279 . . . . 10.0 114.17 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -74.62 -32.29 62.26 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 128.001 3.313 . . . . 10.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.35 12.0 28.52 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.101 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -109.56 109.26 19.99 Favored 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 117.701 -1.6 . . . . 10.0 113.199 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -138.85 82.4 20.64 Favored Pre-proline 0 C--O 1.211 -0.926 0 CA-C-N 113.279 -1.782 . . . . 10.0 111.262 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -85.35 174.53 6.93 Favored 'Trans proline' 0 CA--C 1.511 -0.641 0 O-C-N 126.875 3.04 . . . . 10.0 109.132 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.61 108.37 8.53 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 124.144 1.926 . . . . 10.0 110.235 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 1.1 mtpt -62.73 143.26 57.62 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.282 -2.236 . . . . 10.0 113.79 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' HD13 ' A' ' 42' ' ' ILE . 10.4 tt0 -130.32 111.94 12.84 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 113.044 -1.889 . . . . 10.0 108.564 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.577 ' N ' HD13 ' A' ' 42' ' ' ILE . 2.9 mm -91.36 142.55 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 112.466 -2.152 . . . . 10.0 112.935 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 t -142.37 63.04 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.175 -1.375 . . . . 10.0 109.418 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -66.7 146.95 53.9 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 126.706 2.504 . . . . 10.0 114.254 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 3.3 m-20 -144.25 81.83 1.68 Allowed 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 110.199 -3.182 . . . . 10.0 110.347 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.12 -115.81 8.17 Favored Glycine 0 N--CA 1.472 1.092 0 O-C-N 128.483 3.614 . . . . 10.0 113.432 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -64.9 -49.22 71.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 111.252 -2.474 . . . . 10.0 112.219 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -84.03 131.0 34.86 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 127.817 3.198 . . . . 10.0 110.295 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.85 115.11 16.76 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 126.912 2.632 . . . . 10.0 111.804 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.11 139.19 19.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.568 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.5 HG13 HD12 ' A' ' 42' ' ' ILE . 1.2 mp -117.89 124.97 73.83 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 O-C-N 125.0 1.438 . . . . 10.0 110.237 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -112.85 119.16 37.05 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -105.17 104.81 14.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 107.869 -1.159 . . . . 10.0 107.869 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -103.36 99.15 8.98 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 115.335 1.605 . . . . 10.0 115.335 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.4 p -132.25 165.4 24.23 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 127.838 3.212 . . . . 10.0 107.652 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -94.69 3.62 54.83 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.141 -1.39 . . . . 10.0 112.168 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 79.4 m-85 -99.71 -45.38 5.78 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 109.963 -3.289 . . . . 10.0 112.763 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -168.51 105.07 0.44 Allowed 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 127.202 2.814 . . . . 10.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -72.39 126.68 30.43 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.485 2.991 . . . . 10.0 109.131 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.788 ' C ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -122.87 141.47 51.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 113.38 -1.736 . . . . 10.0 109.883 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.788 HD12 ' C ' ' A' ' 60' ' ' TYR . 3.6 mp -130.21 124.66 58.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-O 126.358 2.98 . . . . 10.0 108.968 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 37.9 mtt -124.91 149.97 47.03 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 112.522 -2.126 . . . . 10.0 110.589 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -122.45 82.29 1.95 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 124.631 2.158 . . . . 10.0 108.365 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -80.55 118.76 22.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 111.833 -2.439 . . . . 10.0 114.34 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -103.36 135.85 44.21 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 112.608 -2.087 . . . . 10.0 108.658 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.74 117.04 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.027 0 CA-C-N 112.95 -1.932 . . . . 10.0 113.617 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.58 -21.74 44.49 Favored Glycine 0 C--O 1.211 -1.303 0 CA-C-N 113.311 -1.768 . . . . 10.0 111.969 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 141.73 46.57 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 113.612 -1.294 . . . . 10.0 112.856 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 144.1 48.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 111.257 -2.701 . . . . 10.0 112.482 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -155.01 159.25 40.19 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 125.928 2.775 . . . . 10.0 109.082 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 148.75 33.8 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.196 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -132.49 110.09 10.26 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 110.603 -2.999 . . . . 10.0 108.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -100.31 112.05 24.36 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 126.58 2.425 . . . . 10.0 109.811 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.13 48.37 0.84 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 109.04 -3.709 . . . . 10.0 108.072 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.24 18.77 13.02 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-O 124.444 2.068 . . . . 10.0 114.476 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.83 24.99 2.27 Favored Glycine 0 C--O 1.217 -0.932 0 CA-C-N 111.726 -2.488 . . . . 10.0 108.922 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.8 -63.43 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 CA-C-O 125.003 2.335 . . . . 10.0 109.473 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.739 ' OD2' HD22 ' A' ' 23' ' ' LEU . 41.6 p-10 -153.89 22.99 0.51 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 109.655 -3.429 . . . . 10.0 114.563 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 39.88 90.7 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 123.878 1.799 . . . . 10.0 114.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.75 -61.69 0.99 Allowed 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt 67.19 103.96 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 124.589 2.138 . . . . 10.0 112.963 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.2 m -136.57 -173.13 3.34 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.511 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.6 mtp -113.31 149.32 34.11 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.186 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.4 m -146.34 143.0 28.81 Favored 'General case' 0 C--O 1.211 -0.961 0 O-C-N 127.229 2.831 . . . . 10.0 114.139 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.05 142.97 51.16 Favored 'General case' 0 C--O 1.217 -0.629 1 O-C-N 129.199 4.062 . . . . 10.0 108.544 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 64' ' ' PHE . 85.6 t -127.76 135.49 62.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 O-C-N 126.03 2.081 . . . . 10.0 112.299 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 t -137.51 127.87 26.42 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 110.753 -2.931 . . . . 10.0 107.989 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -87.52 18.77 3.69 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 116.994 -1.479 . . . . 10.0 114.689 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 t70 30.97 44.12 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.764 3.165 . . . . 10.0 114.047 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 40.18 31.69 0.35 Allowed Glycine 0 C--N 1.347 1.184 0 CA-C-N 112.155 -2.293 . . . . 10.0 114.027 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.9 t0 153.38 121.78 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.632 0 O-C-N 128.333 3.02 . . . . 10.0 108.265 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.03 115.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 126.1 2.125 . . . . 10.0 107.88 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 120.91 13.85 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.367 -1.742 . . . . 10.0 111.123 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.31 108.88 13.24 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 125.336 2.493 . . . . 10.0 113.216 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.8 t -102.47 127.86 49.33 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.906 -1.952 . . . . 10.0 113.63 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.55 147.07 33.31 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 127.092 2.745 . . . . 10.0 109.141 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -116.74 151.01 37.3 Favored 'General case' 0 CA--C 1.495 -1.138 1 O-C-N 129.589 4.305 . . . . 10.0 109.199 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -92.83 -10.16 37.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.205 -1.362 . . . . 10.0 112.816 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' LYS . . . -42.76 110.92 0.3 Allowed Glycine 0 C--O 1.209 -1.44 0 O-C-N 126.992 2.682 . . . . 10.0 109.513 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -56.2 85.28 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 124.95 2.31 . . . . 10.0 113.204 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -156.38 -164.52 1.69 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 111.636 -2.529 . . . . 10.0 107.91 -179.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -125.86 91.06 3.31 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.693 2.496 . . . . 10.0 110.646 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.06 -45.41 1.0 Allowed Glycine 0 N--CA 1.462 0.429 0 C-N-CA 119.412 -1.375 . . . . 10.0 114.079 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -31.2 94.19 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 127.699 3.619 . . . . 10.0 115.439 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.5 149.38 5.93 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 110.31 -3.132 . . . . 10.0 112.578 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.501 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 2.7 m0 -126.21 145.71 50.27 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 123.903 1.811 . . . . 10.0 114.036 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.1 m -126.6 134.2 50.86 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 111.733 -2.485 . . . . 10.0 109.578 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.505 ' HG2' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.23 132.83 41.93 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 125.336 1.648 . . . . 10.0 115.357 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.41 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 2.0 p90 -138.5 142.59 39.35 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 128.205 3.441 . . . . 10.0 107.887 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.8 mt -113.71 151.5 15.54 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-O 125.564 2.602 . . . . 10.0 114.047 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -136.86 -179.18 5.54 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 108.928 -3.76 . . . . 10.0 108.76 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.67 84.11 0.01 OUTLIER Glycine 0 C--O 1.213 -1.175 0 O-C-N 128.246 3.466 . . . . 10.0 113.521 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.19 74.02 0.45 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 126.417 1.892 . . . . 10.0 109.572 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 173.18 136.64 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 110.717 -2.947 . . . . 10.0 108.406 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.674 HD13 ' CE3' ' A' ' 8' ' ' TRP . 1.7 tt -117.03 100.69 7.92 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 111.48 -2.6 . . . . 10.0 108.282 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 143.81 32.53 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 113.241 -1.799 . . . . 10.0 109.028 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.68 HD13 ' HG3' ' A' ' 119' ' ' MET . 4.5 pp -150.38 173.27 14.2 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 114.812 -1.085 . . . . 10.0 109.206 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -135.7 92.58 2.84 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 128.159 3.412 . . . . 10.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.68 ' HG3' HD13 ' A' ' 117' ' ' LEU . 32.4 mtt -83.32 140.95 32.15 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 113.939 -1.482 . . . . 10.0 108.442 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -141.77 139.49 32.82 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 129.006 3.941 . . . . 10.0 110.784 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -171.39 117.37 0.43 Allowed 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.07 -1.877 . . . . 10.0 111.993 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 70.37 23.61 4.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.891 -1.049 . . . . 10.0 113.603 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 95.8 11.1 55.76 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 113.297 -1.774 . . . . 10.0 114.586 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 22' ' ' ALA . 47.0 t -96.25 162.06 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.129 0 C-N-CA 118.292 -1.363 . . . . 10.0 109.855 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.432 ' N ' ' CG1' ' A' ' 124' ' ' VAL . 1.7 m -141.27 86.74 2.04 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 112.812 -1.994 . . . . 10.0 107.865 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 13.4 t -101.45 104.74 15.69 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 125.901 2.001 . . . . 10.0 113.137 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -104.37 86.07 2.46 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.807 2.567 . . . . 10.0 111.959 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.84 137.71 40.65 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 125.115 2.388 . . . . 10.0 114.047 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 1.008 HG12 HD12 ' A' ' 11' ' ' LEU . 22.5 t -91.76 92.45 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 109.849 -3.341 . . . . 10.0 115.186 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.85 143.79 26.77 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 128.36 3.538 . . . . 10.0 109.821 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.711 ' HB2' HD11 ' A' ' 11' ' ' LEU . 11.2 tptm -125.18 124.05 40.93 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 124.312 2.006 . . . . 10.0 112.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -68.22 109.8 3.74 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 111.522 -2.581 . . . . 10.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.2 -55.12 18.18 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 CA-C-N 112.613 -2.085 . . . . 10.0 107.881 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.259 1.578 0 O-C-N 128.575 3.672 . . . . 10.0 113.026 179.674 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.641 ' H42' HD21 ' A' ' 29' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo . . . . . 0 N--CA 1.502 1.976 0 N-CA-C 108.669 -1.319 . . . . 10.0 108.669 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -46.56 143.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 125.312 2.482 . . . . 10.0 111.229 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -136.61 112.09 9.28 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 109.65 -3.432 . . . . 10.0 111.212 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.36 -33.54 76.2 Favored 'General case' 0 CA--C 1.499 -0.993 0 O-C-N 127.116 2.76 . . . . 10.0 112.839 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.36 104.71 1.0 Allowed 'General case' 0 C--O 1.209 -1.072 0 CA-C-N 112.775 -2.012 . . . . 10.0 111.38 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.7 179.1 48.76 Favored Glycine 0 C--N 1.348 1.226 0 C-N-CA 117.15 -2.452 . . . . 10.0 114.41 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -104.57 104.04 13.8 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 125.373 1.278 . . . . 10.0 109.768 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 11.2 m95 -107.64 108.3 19.49 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 118.681 -1.208 . . . . 10.0 109.46 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -98.04 144.15 27.84 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 126.939 2.649 . . . . 10.0 109.709 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.69 163.56 0.3 Allowed 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 126.206 2.908 . . . . 10.0 112.292 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -138.35 -58.11 0.64 Allowed 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 110.503 -3.044 . . . . 10.0 108.415 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -152.0 -176.93 5.86 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 110.079 -3.237 . . . . 10.0 108.428 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 1.8 p-10 -175.44 93.35 0.06 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.726 -2.034 . . . . 10.0 111.227 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -83.51 149.35 26.67 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 111.887 -2.415 . . . . 10.0 111.844 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 53.0 20.34 1.65 Allowed 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 111.859 -2.428 . . . . 10.0 114.204 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.526 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 35.1 t80 -74.33 -23.01 58.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.162 1.458 . . . . 10.0 112.553 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.12 -38.73 60.99 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 114.147 -1.388 . . . . 10.0 111.418 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.31 -24.77 62.2 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 113.047 -1.888 . . . . 10.0 113.697 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.67 -31.32 66.67 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 124.453 2.073 . . . . 10.0 111.57 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD11 ' CB ' ' A' ' 33' ' ' ALA . 18.5 mt -71.66 -32.74 68.23 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.588 -2.096 . . . . 10.0 113.034 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -77.25 -24.17 51.19 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 110.698 -2.955 . . . . 10.0 112.711 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.34 66.66 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.927 -1.942 . . . . 10.0 112.781 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD22 ' OD2' ' A' ' 78' ' ' ASP . 8.6 mt -106.94 15.67 25.12 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 112.091 -2.322 . . . . 10.0 111.224 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 42.3 40.34 1.76 Allowed 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 124.893 2.282 . . . . 10.0 113.666 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.629 HG12 ' N ' ' A' ' 26' ' ' ASN . 6.2 t -57.72 -74.74 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-N 111.11 -2.768 . . . . 10.0 112.857 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.629 ' N ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER 172.16 150.52 0.06 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.153 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.786 HG23 ' NH2' ' A' ' 30' ' ' ARG . 10.2 p -68.92 -31.15 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 114.412 1.264 . . . . 10.0 114.412 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.63 -43.26 76.73 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 111.255 -2.702 . . . . 10.0 115.03 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -27.26 64.64 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 125.851 2.739 . . . . 10.0 111.826 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.786 ' NH2' HG23 ' A' ' 27' ' ' VAL . 3.1 tmm_? -72.72 -30.91 64.59 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-N 111.468 -2.606 . . . . 10.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -79.89 -29.16 39.87 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.44 3.588 . . . . 10.0 109.531 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.469 HG21 ' CE2' ' A' ' 57' ' ' PHE . 5.9 mt -79.72 -28.88 12.9 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 O-C-N 127.087 2.742 . . . . 10.0 111.456 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.526 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -75.62 -20.96 58.17 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.376 2.036 . . . . 10.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.59 -33.85 69.38 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 111.22 -2.718 . . . . 10.0 113.711 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.41 2.16 48.67 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 110.843 -2.889 . . . . 10.0 113.92 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.8 mt -128.79 143.51 50.93 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 112.946 -1.933 . . . . 10.0 113.574 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -151.52 80.07 6.42 Favored Pre-proline 0 CA--C 1.495 -1.16 0 O-C-N 126.641 2.463 . . . . 10.0 112.116 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -44.04 148.07 1.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 O-C-N 124.89 1.995 . . . . 10.0 114.463 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -108.99 112.08 24.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.839 -2.437 . . . . 10.0 107.589 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -76.16 143.66 41.03 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 127.552 3.032 . . . . 10.0 114.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.69 84.67 2.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 124.922 2.296 . . . . 10.0 112.232 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.44 143.52 12.75 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 110.573 -3.012 . . . . 10.0 109.303 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.21 111.4 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 CA-C-N 109.792 -3.367 . . . . 10.0 113.055 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.7 130.41 34.7 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 123.515 1.626 . . . . 10.0 111.42 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -147.36 67.12 1.13 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 113.012 -1.904 . . . . 10.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.44 -116.04 4.13 Favored Glycine 0 C--O 1.209 -1.429 0 CA-C-N 111.781 -2.463 . . . . 10.0 114.332 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.6 29.16 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.604 -2.298 . . . . 10.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -74.39 165.02 25.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.326 1.536 . . . . 10.0 109.437 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.4 ttp -155.41 84.12 1.05 Allowed 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 111.23 -2.714 . . . . 10.0 109.118 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.7 mt -75.22 133.03 32.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.274 -0.875 . . . . 10.0 112.816 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 mt -114.27 133.95 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 O-C-N 128.735 3.772 . . . . 10.0 110.648 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -117.51 138.61 51.77 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 127.512 3.007 . . . . 10.0 109.424 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -135.69 98.97 4.06 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 109.771 -3.377 . . . . 10.0 108.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.8 mt -95.12 108.4 20.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 108.925 -3.761 . . . . 10.0 115.444 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -147.04 107.69 4.12 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 112.822 -1.99 . . . . 10.0 108.794 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -33.24 -35.91 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 O-C-N 127.978 3.298 . . . . 10.0 114.177 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.469 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -66.8 -55.32 15.42 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 112.797 -2.001 . . . . 10.0 113.263 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -157.64 112.53 2.7 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.834 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 171.32 14.33 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 111.867 -2.424 . . . . 10.0 108.882 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -163.27 89.97 0.64 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 112.165 -2.289 . . . . 10.0 113.324 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.9 mp -109.82 128.82 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 123.943 1.83 . . . . 10.0 113.946 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 mmt -149.86 169.43 21.14 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 111.885 -2.416 . . . . 10.0 109.572 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -115.44 135.17 54.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 110.082 -3.235 . . . . 10.0 108.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.12 113.48 17.78 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 114.387 -1.279 . . . . 10.0 114.051 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -83.27 98.26 9.32 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 127.106 2.754 . . . . 10.0 108.239 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 66' ' ' VAL . 24.9 t -61.26 110.69 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.403 -1.726 . . . . 10.0 113.871 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.67 -4.99 21.01 Favored Glycine 0 C--O 1.208 -1.518 0 O-C-N 127.31 2.881 . . . . 10.0 114.442 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.34 166.96 11.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 113.561 -1.32 . . . . 10.0 113.174 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.11 156.17 19.82 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 110.582 -3.008 . . . . 10.0 112.295 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -133.76 -178.95 5.25 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 112.697 -2.047 . . . . 10.0 114.048 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -140.88 61.86 1.49 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 126.626 2.454 . . . . 10.0 109.144 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.98 144.47 14.89 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 110.643 -2.98 . . . . 10.0 113.484 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.9 115.75 12.23 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 111.316 -2.675 . . . . 10.0 109.729 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 74' ' ' LEU . 5.1 mp -120.61 52.02 1.19 Allowed 'General case' 0 C--O 1.213 -0.844 0 CA-C-N 111.581 -2.554 . . . . 10.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -77.75 -4.36 45.94 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 122.871 1.32 . . . . 10.0 113.514 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -103.03 -5.39 47.08 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-N 113.563 -1.653 . . . . 10.0 111.552 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.31 -74.78 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 CA-C-N 112.956 -1.622 . . . . 10.0 110.299 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.589 ' OD2' HD22 ' A' ' 23' ' ' LEU . 2.7 p-10 -143.77 20.49 1.82 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.252 -0.885 . . . . 10.0 113.015 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 54.5 t0 36.31 76.9 0.05 OUTLIER 'General case' 0 C--O 1.209 -1.078 0 O-C-N 127.053 2.721 . . . . 10.0 113.364 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HB2' HD13 ' A' ' 74' ' ' LEU . 2.3 mtp180 -82.31 -67.26 0.8 Allowed 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 110.416 -3.083 . . . . 10.0 113.109 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt 71.69 85.22 0.13 Allowed 'General case' 0 C--O 1.208 -1.125 0 O-C-N 128.558 3.661 . . . . 10.0 111.561 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 93.3 m -131.46 178.44 6.73 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.195 -1.366 . . . . 10.0 112.8 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 98' ' ' LYS . 1.8 mtm -105.88 133.94 49.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.558 -2.11 . . . . 10.0 108.926 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 m -115.91 143.38 45.51 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 124.321 2.01 . . . . 10.0 114.049 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 96' ' ' VAL . 1.9 m -150.49 115.8 5.41 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 112.534 -2.121 . . . . 10.0 107.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.606 ' CG1' HD11 ' A' ' 93' ' ' LEU . 38.4 t -108.17 145.16 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 O-C-N 127.312 2.883 . . . . 10.0 109.195 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.428 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.4 m -158.83 154.85 26.78 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.262 -2.699 . . . . 10.0 111.127 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -99.61 151.21 21.45 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 112.431 -2.168 . . . . 10.0 111.64 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -101.33 -59.62 1.67 Allowed 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 112.311 -2.222 . . . . 10.0 111.768 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.89 110.26 0.27 Allowed Glycine 0 C--N 1.345 1.029 0 O-C-N 126.799 2.562 . . . . 10.0 111.559 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.96 18.22 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 128.003 2.825 . . . . 10.0 113.367 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 143.04 1.18 Allowed 'General case' 0 C--O 1.209 -1.054 0 CA-C-N 111.183 -2.735 . . . . 10.0 113.13 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.606 HD11 ' CG1' ' A' ' 86' ' ' VAL . 25.9 tp -100.62 120.46 40.09 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 127.09 2.744 . . . . 10.0 111.677 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -109.66 152.06 26.07 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 126.699 2.499 . . . . 10.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 86' ' ' VAL . 28.5 m -138.98 148.2 43.17 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 114.132 -1.394 . . . . 10.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -140.42 121.09 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 110.33 -3.123 . . . . 10.0 112.288 -179.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -104.75 79.86 1.58 Allowed 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 127.639 3.087 . . . . 10.0 113.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' MET . 1.5 tttt -41.51 94.79 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 125.543 2.592 . . . . 10.0 113.845 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.63 -152.65 8.5 Favored Glycine 0 CA--C 1.497 -1.076 0 CA-C-N 109.522 -3.49 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.47 46.11 1.61 Allowed 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 126.912 2.184 . . . . 10.0 111.54 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -124.71 -89.34 0.58 Allowed 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 111.525 -2.58 . . . . 10.0 114.59 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER 171.53 136.26 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.92 32.24 0.34 Allowed Glycine 0 C--O 1.212 -1.256 0 O-C-N 128.25 3.469 . . . . 10.0 110.683 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -83.85 62.11 6.77 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 125.062 2.363 . . . . 10.0 112.991 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.52 158.56 27.73 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 113.558 -1.656 . . . . 10.0 109.688 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -108.6 153.67 23.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 123.523 1.63 . . . . 10.0 115.034 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -135.3 116.47 14.4 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 111.874 -2.421 . . . . 10.0 107.786 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 117' ' ' LEU . 10.0 mp0 -114.99 160.79 19.16 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 123.946 1.831 . . . . 10.0 114.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -157.54 94.74 1.39 Allowed 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 110.023 -3.262 . . . . 10.0 108.918 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.45 147.43 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-N 110.474 -3.057 . . . . 10.0 109.838 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.9 -176.9 3.36 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 109.866 -3.333 . . . . 10.0 109.686 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.05 -60.62 4.93 Favored Glycine 0 C--O 1.221 -0.662 0 O-C-N 127.045 2.716 . . . . 10.0 112.217 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -138.99 61.07 1.58 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 177.12 146.04 0.1 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.036 -0.983 . . . . 10.0 109.748 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.65 110.38 22.67 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 124.859 1.349 . . . . 10.0 110.218 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -99.08 103.39 15.3 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 125.641 2.638 . . . . 10.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 118' ' ' GLU . 1.7 tp -116.98 128.19 54.94 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 111.059 -2.791 . . . . 10.0 109.617 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.6 mt-10 -118.91 73.18 0.91 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 124.482 2.087 . . . . 10.0 110.262 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -58.43 158.15 7.86 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 109.606 -3.452 . . . . 10.0 112.33 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 119' ' ' MET . 4.2 mtm180 -144.75 146.42 32.15 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.448 -1.251 . . . . 10.0 108.586 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.78 118.44 2.43 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 123.893 1.806 . . . . 10.0 113.165 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.04 19.93 1.14 Allowed 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 114.372 1.249 . . . . 10.0 114.372 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.82 -14.64 24.23 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 118.982 -0.899 . . . . 10.0 113.59 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.95 146.71 5.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.996 0 O-C-N 125.984 1.637 . . . . 10.0 109.076 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 45.1 m -116.91 118.82 33.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.343 1.544 . . . . 10.0 112.97 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.3 132.52 47.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 112.936 -1.938 . . . . 10.0 112.052 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 88.63 2.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 126.241 2.213 . . . . 10.0 113.784 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -78.75 115.82 18.7 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 109.509 -3.496 . . . . 10.0 108.269 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 130' ' ' PHE . 2.8 t -104.42 156.14 5.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 CA-C-N 112.287 -2.233 . . . . 10.0 113.705 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.508 ' N ' HG12 ' A' ' 129' ' ' VAL . 4.6 m-85 -144.54 156.66 44.26 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 109.688 -3.415 . . . . 10.0 108.864 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.536 ' HB2' HD23 ' A' ' 11' ' ' LEU . 10.3 tptp -126.73 109.5 12.12 Favored 'General case' 0 C--O 1.211 -0.935 0 O-C-N 127.161 2.788 . . . . 10.0 113.021 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 8' ' ' TRP . 6.6 tttt -55.1 104.62 0.13 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 111.942 -2.39 . . . . 10.0 111.429 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.52 -53.48 39.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 O-C-N 126.64 2.462 . . . . 10.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.985 1 O-C-N 130.763 5.039 . . . . 10.0 108.989 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.568 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo . . . . . 0 N--CA 1.506 2.249 0 N-CA-C 108.547 -1.367 . . . . 10.0 108.547 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.7 m -70.58 -20.47 22.37 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 109.845 -3.343 . . . . 10.0 112.601 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.02 95.41 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 O-C-N 128.204 3.44 . . . . 10.0 113.22 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -78.68 -28.96 45.36 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 113.2 -1.818 . . . . 10.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -59.88 141.67 54.99 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 111.968 -2.378 . . . . 10.0 111.919 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.18 -145.65 15.43 Favored Glycine 0 C--O 1.209 -1.443 0 CA-C-N 112.563 -2.108 . . . . 10.0 108.933 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.24 140.39 52.57 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 124.722 2.201 . . . . 10.0 109.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.838 ' CD2' HD12 ' A' ' 115' ' ' LEU . 4.1 m95 -142.34 107.44 4.95 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.738 -2.028 . . . . 10.0 114.177 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -100.4 153.25 19.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 112.811 -1.995 . . . . 10.0 107.676 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.444 ' HG3' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.94 159.76 0.38 Allowed 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.287 1.617 . . . . 10.0 111.508 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 131' ' ' LYS . 0.8 OUTLIER -138.19 -54.12 0.63 Allowed 'General case' 0 C--O 1.208 -1.114 0 CA-C-N 109.72 -3.4 . . . . 10.0 112.221 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -178.05 157.98 1.18 Allowed 'General case' 0 C--O 1.221 -0.44 0 O-C-N 128.168 3.417 . . . . 10.0 108.859 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.13 -177.42 4.22 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 126.443 2.339 . . . . 10.0 108.473 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -170.87 123.64 0.62 Allowed 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 126.403 2.314 . . . . 10.0 108.782 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 70.07 30.14 3.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 123.074 1.416 . . . . 10.0 108.816 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -71.95 -45.69 60.19 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 114.26 -1.336 . . . . 10.0 113.493 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.72 -25.16 61.12 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.138 -0.937 . . . . 10.0 112.781 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -74.04 -37.06 64.43 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.609 -2.541 . . . . 10.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.4 t80 -73.92 -27.19 60.91 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 110.714 -2.948 . . . . 10.0 111.112 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.601 HD21 H183 ' A' ' 135' ' ' RTL . 7.9 mt -77.3 -29.26 53.62 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 110.834 -2.894 . . . . 10.0 108.904 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -78.61 -22.75 46.54 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 112.836 -1.984 . . . . 10.0 108.91 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -66.9 -27.76 67.76 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.175 -1.829 . . . . 10.0 114.467 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB2' HG23 ' A' ' 25' ' ' VAL . 8.6 mt -99.74 8.95 43.87 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.06 -0.973 . . . . 10.0 111.924 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.45 49.78 6.2 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 127.12 2.762 . . . . 10.0 108.538 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.579 HG12 ' N ' ' A' ' 26' ' ' ASN . 14.2 t -59.69 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-N 111.251 -2.704 . . . . 10.0 113.45 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.579 ' N ' HG12 ' A' ' 25' ' ' VAL . 3.0 m-20 172.83 155.9 0.1 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 114.817 -1.083 . . . . 10.0 109.023 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -76.25 -30.22 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-O 122.894 1.33 . . . . 10.0 110.43 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.72 71.02 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 111.88 -2.418 . . . . 10.0 114.406 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -78.22 -21.89 49.33 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 117.398 -1.721 . . . . 10.0 113.728 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -72.47 -29.5 63.72 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 111.144 -2.753 . . . . 10.0 109.954 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -77.61 -42.64 34.29 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 112.572 -2.104 . . . . 10.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.643 HG21 ' CE2' ' A' ' 57' ' ' PHE . 9.2 mt -74.84 -30.84 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.819 0 CA-C-N 113.021 -1.9 . . . . 10.0 112.501 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -62.57 -20.53 64.79 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.385 -2.189 . . . . 10.0 113.679 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -24.99 60.03 Favored 'General case' 0 C--O 1.21 -0.987 0 CA-C-N 111.381 -2.645 . . . . 10.0 112.475 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 mt -100.66 7.77 43.74 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 128.483 3.614 . . . . 10.0 109.618 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -105.22 116.49 32.03 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 114.625 -1.17 . . . . 10.0 111.009 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HB3' ' HG3' ' A' ' 10' ' ' MET . 12.2 mttp -145.92 62.7 8.56 Favored Pre-proline 0 CA--C 1.511 -0.541 0 O-C-N 127.38 2.925 . . . . 10.0 108.486 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 9.4 Cg_endo -61.05 175.18 1.45 Allowed 'Trans proline' 0 CA--C 1.493 -1.527 0 O-C-N 126.495 2.84 . . . . 10.0 114.905 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.75 165.53 14.42 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-N 111.344 -2.662 . . . . 10.0 109.238 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -136.86 149.85 47.93 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 114.765 -1.107 . . . . 10.0 112.169 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.12 91.98 2.61 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 111.57 -2.559 . . . . 10.0 112.32 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 8' ' ' TRP . 4.4 mt -89.73 145.47 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.992 0 CA-C-O 124.566 2.127 . . . . 10.0 108.88 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -136.1 97.48 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 CA-C-O 125.285 2.469 . . . . 10.0 110.081 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -76.52 120.76 22.18 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.497 -2.138 . . . . 10.0 111.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.66 86.2 1.73 Allowed 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 111.534 -2.575 . . . . 10.0 114.006 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.24 -129.91 9.73 Favored Glycine 0 C--N 1.335 0.498 0 CA-C-N 110.493 -3.048 . . . . 10.0 111.031 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.58 -17.93 55.38 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 113.143 -1.528 . . . . 10.0 111.602 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.36 161.96 18.43 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.701 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 34.4 ttm -168.46 77.29 0.13 Allowed 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 124.016 1.865 . . . . 10.0 111.074 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -69.48 136.12 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-N 113.593 -1.64 . . . . 10.0 113.238 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.61 123.64 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 CA-C-N 111.68 -2.509 . . . . 10.0 109.458 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -111.66 113.05 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 113.416 -1.72 . . . . 10.0 112.64 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.9 m -102.69 118.64 37.29 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-O 122.721 1.248 . . . . 10.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.5 mt -118.57 98.5 6.27 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 113.55 -1.659 . . . . 10.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 49.5 p -112.72 -1.45 14.74 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 115.496 1.665 . . . . 10.0 115.496 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 56' ' ' THR . 19.6 m 54.21 29.6 10.87 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.836 1.779 . . . . 10.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.643 ' CE2' HG21 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -140.06 -60.4 0.53 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 123.653 1.692 . . . . 10.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -147.18 106.06 3.84 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 125.553 2.597 . . . . 10.0 111.986 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -77.75 107.9 10.58 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 112.039 -2.346 . . . . 10.0 113.744 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -96.81 124.85 40.91 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 112.657 -2.065 . . . . 10.0 109.098 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 60' ' ' TYR . 20.0 mm -120.8 112.49 36.2 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 CA-C-N 111.608 -2.542 . . . . 10.0 113.281 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.6 mtp -123.48 101.75 7.51 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 125.435 2.54 . . . . 10.0 110.352 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -39.43 94.24 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.602 -2.09 . . . . 10.0 109.74 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 62.57 167.58 0.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 O-C-N 127.106 2.754 . . . . 10.0 110.195 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -165.79 85.39 0.35 Allowed 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.769 1.293 . . . . 10.0 109.696 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.5 t -45.66 130.26 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 113.697 -1.592 . . . . 10.0 114.482 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 3.51 86.19 Favored Glycine 0 N--CA 1.473 1.106 0 O-C-N 126.225 2.203 . . . . 10.0 113.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 158.5 31.67 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.559 -0.321 . . . . 10.0 110.402 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -108.44 135.97 48.84 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 129.311 4.132 . . . . 10.0 114.435 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.52 145.33 18.85 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-O 126.577 3.085 . . . . 10.0 113.132 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -75.73 123.58 25.82 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 109.865 -3.334 . . . . 10.0 112.581 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -106.48 132.78 52.09 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 127.091 2.744 . . . . 10.0 110.938 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -108.43 115.6 30.41 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.088 -1.869 . . . . 10.0 110.464 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.76 58.46 1.65 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 123.949 1.833 . . . . 10.0 111.637 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.39 108.96 20.25 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 111.451 -2.613 . . . . 10.0 112.172 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.87 -18.86 5.89 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-N 111.643 -2.526 . . . . 10.0 108.414 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 77' ' ' ILE . 3.4 mp -98.18 -79.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 110.766 -2.717 . . . . 10.0 108.816 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.416 ' HA ' HG22 ' A' ' 25' ' ' VAL . 1.2 p30 -109.98 -10.43 14.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 126.895 2.622 . . . . 10.0 114.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.03 72.18 0.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 126.18 2.175 . . . . 10.0 112.949 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.07 139.88 0.29 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 110.779 -2.919 . . . . 10.0 111.464 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.8 174.56 5.83 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 126.752 2.532 . . . . 10.0 109.874 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.5 177.39 2.17 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 111.9 -2.409 . . . . 10.0 109.715 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.4 mtt -104.7 126.08 51.43 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 124.736 2.208 . . . . 10.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.0 m -120.88 142.29 49.81 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 110.513 -3.04 . . . . 10.0 112.731 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -135.67 145.12 46.43 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 127.712 3.132 . . . . 10.0 108.556 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.98 138.22 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 127.988 3.305 . . . . 10.0 108.398 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -129.53 176.67 7.79 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 127.359 2.912 . . . . 10.0 111.623 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.55 91.67 3.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.032 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -98.47 50.8 0.99 Allowed 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 126.946 2.654 . . . . 10.0 114.641 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.36 -131.22 7.58 Favored Glycine 0 C--O 1.221 -0.682 0 CA-C-N 113.13 -1.85 . . . . 10.0 113.042 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.34 -19.98 20.17 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 127.273 2.396 . . . . 10.0 109.065 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -91.32 177.73 6.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 128.23 3.456 . . . . 10.0 112.915 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.88 96.4 5.05 Favored 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 110.967 -2.833 . . . . 10.0 110.238 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -92.15 116.41 28.91 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 109.682 -3.417 . . . . 10.0 114.478 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 m -110.21 121.14 44.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 114.751 -1.113 . . . . 10.0 110.643 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.8 m -112.84 135.6 51.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 O-C-N 125.293 1.621 . . . . 10.0 114.808 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB3' ' HG2' ' A' ' 104' ' ' ARG . 33.9 mt-30 -117.18 93.55 4.22 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 127.221 2.825 . . . . 10.0 108.275 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -39.25 -50.5 1.97 Allowed 'General case' 0 C--O 1.217 -0.642 0 O-C-N 128.794 3.809 . . . . 10.0 112.379 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 31.26 -127.34 0.2 Allowed Glycine 0 C--O 1.217 -0.921 1 O-C-N 129.552 4.283 . . . . 10.0 112.086 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -168.64 36.91 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.445 -2.878 . . . . 10.0 110.132 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HG3' ' NH1' ' A' ' 104' ' ' ARG . 17.6 mmtt -125.33 173.67 8.67 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 113.305 0.854 . . . . 10.0 113.305 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 84.74 2.51 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 114.153 -1.385 . . . . 10.0 114.675 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.1 -94.43 0.65 Allowed Glycine 0 C--O 1.213 -1.197 0 N-CA-C 108.262 -1.935 . . . . 10.0 108.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' HG2' ' HB3' ' A' ' 97' ' ' GLN . 3.7 ttm180 48.57 86.27 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 109.906 -3.147 . . . . 10.0 114.734 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.89 134.2 2.17 Favored Glycine 0 C--O 1.213 -1.168 0 CA-C-N 113.438 -1.71 . . . . 10.0 112.742 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -102.3 147.07 27.13 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -140.93 123.91 16.35 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 126.567 2.417 . . . . 10.0 109.576 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.72 146.85 38.02 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.253 2.221 . . . . 10.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.486 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -159.71 149.24 18.19 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.997 -2.82 . . . . 10.0 113.522 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 26.2 mt -106.38 149.1 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.176 0 CA-C-N 111.702 -2.499 . . . . 10.0 110.301 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -110.07 -97.72 0.4 Allowed 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 112.302 -2.226 . . . . 10.0 113.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.42 -82.62 1.68 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 107.84 -2.104 . . . . 10.0 107.84 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -132.04 28.9 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 126.315 1.833 . . . . 10.0 109.168 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -144.95 128.55 17.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 111.288 -2.687 . . . . 10.0 111.581 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.838 HD12 ' CD2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -75.75 135.2 40.32 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.903 1.335 . . . . 10.0 112.087 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -124.54 107.79 11.42 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.834 -1.985 . . . . 10.0 111.409 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 128' ' ' GLN . 13.4 tp -105.38 151.78 23.77 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.57 113.17 15.76 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 112.157 -2.292 . . . . 10.0 111.87 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.7 mtm -112.34 133.6 54.35 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.382 1.563 . . . . 10.0 112.353 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? -140.58 142.81 35.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 110.893 -2.867 . . . . 10.0 112.389 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -175.72 132.34 0.27 Allowed 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 110.84 -2.891 . . . . 10.0 113.924 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 62.8 19.13 11.26 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 127.842 3.214 . . . . 10.0 112.602 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 93.29 -5.98 75.1 Favored Glycine 0 C--N 1.351 1.378 0 O-C-N 120.812 -1.18 . . . . 10.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 22' ' ' ALA . 86.8 t -83.95 135.59 24.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-N 114.668 -0.766 . . . . 10.0 108.986 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -109.43 100.75 9.79 Favored 'General case' 0 CA--C 1.505 -0.766 0 O-C-N 126.378 2.299 . . . . 10.0 113.129 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 133.09 53.43 Favored 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 114.001 -1.454 . . . . 10.0 108.978 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.07 117.09 19.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 125.308 2.48 . . . . 10.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.446 ' HB2' HD23 ' A' ' 117' ' ' LEU . 47.0 mt-30 -101.73 152.28 21.04 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.664 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.47 134.04 43.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 111.078 -2.783 . . . . 10.0 114.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -134.61 135.03 41.88 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 126.015 2.072 . . . . 10.0 109.302 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' LYS . 4.4 tptm -90.3 137.64 32.18 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 125.117 2.389 . . . . 10.0 114.468 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -98.36 128.33 44.72 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 112.917 -1.947 . . . . 10.0 108.101 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.8 t -98.89 -47.72 12.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 113.166 -1.833 . . . . 10.0 108.929 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.26 1.638 0 CA-C-O 115.694 -2.098 . . . . 10.0 114.533 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.601 H183 HD21 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo . . . . . 0 N--CA 1.499 1.801 0 CA-C-O 126.06 2.442 . . . . 10.0 113.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 t -81.42 76.29 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 CA-C-N 112.043 -2.344 . . . . 10.0 113.759 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.62 172.24 14.01 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 112.38 -2.191 . . . . 10.0 109.276 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.85 -0.02 9.12 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 125.75 1.906 . . . . 10.0 114.389 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 39.1 t-20 -70.83 145.06 50.54 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-O 121.703 0.763 . . . . 10.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 5' ' ' ASN . . . 143.85 -125.31 2.46 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 123.71 1.728 . . . . 10.0 110.599 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.8 119.39 2.9 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 113.506 -1.347 . . . . 10.0 112.345 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.508 ' CH2' ' HE2' ' A' ' 132' ' ' LYS . 4.1 m95 -122.47 153.24 39.4 Favored 'General case' 0 C--O 1.211 -0.971 0 O-C-N 124.542 1.151 . . . . 10.0 109.83 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -120.11 -122.85 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 127.537 3.023 . . . . 10.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -169.94 138.98 1.82 Allowed 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 118.362 -1.335 . . . . 10.0 110.974 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.726 HD21 ' HB2' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -103.3 -43.94 5.3 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.25 -0.886 . . . . 10.0 109.426 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -178.92 170.53 1.49 Allowed 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 126.079 2.112 . . . . 10.0 112.646 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' N ' ' OG ' ' A' ' 12' ' ' SER . 21.0 m-20 -117.36 -174.35 2.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.222 -1.808 . . . . 10.0 107.993 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.08 -44.15 0.13 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 126.714 2.508 . . . . 10.0 112.792 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -137.94 37.1 2.37 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 125.075 2.369 . . . . 10.0 109.439 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 17.0 t80 -67.8 -44.03 78.29 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 111.632 -2.531 . . . . 10.0 113.201 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -24.31 62.36 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.491 -2.141 . . . . 10.0 112.869 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' OE2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -76.39 -30.46 57.5 Favored 'General case' 0 C--O 1.21 -1.004 0 O-C-N 128.221 3.451 . . . . 10.0 111.738 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.69 -23.12 62.42 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 110.599 -3.0 . . . . 10.0 111.301 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 30' ' ' ARG . 18.5 mt -72.86 -33.12 65.91 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-O 125.14 2.4 . . . . 10.0 110.532 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.91 63.21 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 112.097 -2.319 . . . . 10.0 113.966 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-O 126.383 2.992 . . . . 10.0 113.332 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.54 1.25 23.22 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.351 -2.659 . . . . 10.0 110.492 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 64.63 50.84 2.04 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 113.469 -1.696 . . . . 10.0 114.735 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.546 HG11 HD22 ' A' ' 29' ' ' LEU . 22.2 t -85.71 146.87 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 112.619 -2.082 . . . . 10.0 108.024 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -51.7 157.52 1.14 Allowed 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 110.659 -2.973 . . . . 10.0 113.583 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.66 -29.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 114.661 -1.154 . . . . 10.0 112.71 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.36 69.6 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 126.548 2.405 . . . . 10.0 114.023 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.546 HD22 HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -76.41 -29.14 56.95 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-O 124.509 2.099 . . . . 10.0 115.07 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.658 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.08 -29.27 54.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 111.612 -2.54 . . . . 10.0 109.621 -179.535 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -72.3 -28.76 63.3 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.594 2.434 . . . . 10.0 112.395 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.63 -35.12 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 CA-C-N 110.308 -3.133 . . . . 10.0 110.985 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 16' ' ' PHE . . . -63.94 -33.41 75.65 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 112.108 -2.315 . . . . 10.0 114.381 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -21.89 58.66 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.144 -2.298 . . . . 10.0 112.554 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.452 ' O ' HD22 ' A' ' 36' ' ' LEU . 15.3 mt -88.9 -1.93 58.34 Favored 'General case' 0 CA--C 1.508 -0.637 0 O-C-N 128.134 3.396 . . . . 10.0 110.137 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 35' ' ' LEU . 2.4 mm? -119.05 126.46 51.73 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 126.84 2.587 . . . . 10.0 112.162 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -128.5 67.6 76.48 Favored Pre-proline 0 C--O 1.211 -0.964 0 CA-C-N 111.837 -2.438 . . . . 10.0 112.018 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.17 -171.67 0.37 Allowed 'Trans proline' 0 C--O 1.217 -0.57 0 O-C-N 128.619 3.957 . . . . 10.0 112.175 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.98 -176.9 4.4 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 112.718 -2.037 . . . . 10.0 110.79 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -140.42 157.89 44.84 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-N 112.806 -1.997 . . . . 10.0 113.658 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.71 94.85 2.65 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 125.176 2.417 . . . . 10.0 111.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -94.46 127.39 46.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.558 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -131.36 128.47 61.38 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 O-C-N 126.816 2.572 . . . . 10.0 114.375 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 149.26 50.49 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 113.038 -1.892 . . . . 10.0 110.078 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -123.85 22.12 8.97 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 112.819 -1.992 . . . . 10.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.89 -93.44 0.32 Allowed Glycine 0 C--N 1.346 1.121 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.726 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -71.08 -56.62 5.74 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 112.783 -1.708 . . . . 10.0 110.646 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -67.69 162.25 24.12 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.228 -1.805 . . . . 10.0 114.683 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.414 ' O ' HD12 ' A' ' 51' ' ' ILE . 30.6 ttp -155.6 73.39 0.84 Allowed 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.89 2.619 . . . . 10.0 113.823 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.8 mt -56.04 147.0 4.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 CA-C-O 123.339 1.542 . . . . 10.0 110.115 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 49' ' ' MET . 0.7 OUTLIER -125.33 121.96 61.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-N 110.877 -2.874 . . . . 10.0 110.183 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -122.77 106.67 11.12 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 123.937 1.827 . . . . 10.0 114.502 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 m -94.35 96.32 9.46 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.41 -2.177 . . . . 10.0 108.434 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -91.85 93.23 8.73 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 128.009 3.318 . . . . 10.0 113.77 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.19 141.56 51.84 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 127.386 2.929 . . . . 10.0 107.689 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -78.34 -2.34 37.67 Favored 'General case' 0 CA--C 1.495 -1.153 0 O-C-N 127.016 2.697 . . . . 10.0 114.2 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -54.41 3.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.552 -1.204 . . . . 10.0 107.952 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -144.83 120.16 10.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 111.273 -2.694 . . . . 10.0 111.687 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -82.03 138.99 34.75 Favored 'General case' 0 CA--C 1.505 -0.77 0 O-C-N 124.677 1.236 . . . . 10.0 108.997 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.455 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 25.7 t80 -147.11 136.51 22.72 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 124.568 2.128 . . . . 10.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.35 144.06 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 111.273 -2.694 . . . . 10.0 113.558 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.83 152.56 30.82 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 125.673 1.858 . . . . 10.0 111.36 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -114.34 94.16 4.67 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 127.333 2.896 . . . . 10.0 113.17 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -80.76 119.67 23.65 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 114.821 1.415 . . . . 10.0 114.821 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -107.81 112.2 24.73 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 127.886 3.241 . . . . 10.0 107.609 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG11 ' CE3' ' A' ' 88' ' ' TRP . 22.4 t -65.24 118.03 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.87 0 CA-C-N 113.177 -1.829 . . . . 10.0 114.527 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.21 -29.29 12.83 Favored Glycine 0 CA--C 1.501 -0.801 0 CA-C-N 112.845 -1.98 . . . . 10.0 114.889 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.38 170.03 16.93 Favored 'General case' 0 CA--C 1.497 -1.089 0 O-C-N 125.934 1.608 . . . . 10.0 114.269 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -108.83 115.14 29.52 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 112.652 -2.067 . . . . 10.0 112.652 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.92 161.03 38.56 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 113.325 -1.761 . . . . 10.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -96.34 152.6 18.44 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 124.417 2.056 . . . . 10.0 111.778 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.3 145.83 46.7 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-N 109.804 -3.362 . . . . 10.0 109.489 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 74' ' ' LEU . 3.1 t0 -121.41 116.92 25.65 Favored 'General case' 0 CA--C 1.504 -0.815 1 O-C-N 129.604 4.315 . . . . 10.0 114.16 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.1 mm? -105.53 47.53 0.87 Allowed 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 122.687 1.232 . . . . 10.0 109.192 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -78.99 124.13 27.96 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 111.811 -2.45 . . . . 10.0 107.127 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.94 30.81 Favored Glycine 0 C--O 1.208 -1.476 0 C-N-CA 118.186 -1.959 . . . . 10.0 108.705 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 78' ' ' ASP . 3.7 mp -105.4 -86.55 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 O-C-N 126.544 1.967 . . . . 10.0 109.091 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 77' ' ' ILE . 12.3 t70 -129.44 4.46 5.14 Favored 'General case' 0 CA--C 1.494 -1.177 0 O-C-N 126.047 2.092 . . . . 10.0 113.752 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 56.07 40.24 30.28 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.905 2.288 . . . . 10.0 107.389 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -50.82 10.77 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 109.243 -3.617 . . . . 10.0 114.3 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? 25.43 105.79 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 128.753 3.783 . . . . 10.0 115.706 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.6 m -139.07 170.91 15.11 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.594 -2.548 . . . . 10.0 113.727 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.02 157.08 19.61 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 110.574 -3.012 . . . . 10.0 108.554 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 m -150.95 136.14 17.61 Favored 'General case' 0 C--O 1.209 -1.066 0 O-C-N 125.868 1.98 . . . . 10.0 110.634 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.32 106.03 6.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 126.097 2.123 . . . . 10.0 114.133 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.0 t -82.39 131.18 34.38 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 O-C-N 127.34 2.9 . . . . 10.0 110.747 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -128.03 119.72 26.01 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 111.735 -2.484 . . . . 10.0 110.439 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.413 ' CE3' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -89.09 111.35 22.08 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 115.516 -0.765 . . . . 10.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -6.45 21.55 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 113.936 -1.483 . . . . 10.0 113.621 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.46 129.15 6.47 Favored Glycine 0 N--CA 1.465 0.568 0 C-N-CA 117.815 -2.136 . . . . 10.0 111.751 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 53.26 25.91 4.78 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.723 -2.239 . . . . 10.0 113.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt 173.36 134.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 112.155 -2.293 . . . . 10.0 109.609 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 tp -112.99 117.77 32.98 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.595 -2.548 . . . . 10.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.41 142.27 33.05 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-O 123.044 1.402 . . . . 10.0 111.712 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.1 t -138.19 96.34 3.17 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 110.874 -2.876 . . . . 10.0 111.879 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 97' ' ' GLN . 3.9 t -103.09 148.17 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 126.926 2.641 . . . . 10.0 112.435 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' ' CG1' ' A' ' 96' ' ' VAL . 5.8 mt-30 -115.04 133.52 55.97 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 126.898 2.624 . . . . 10.0 108.836 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -99.46 63.22 1.26 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 127.264 2.853 . . . . 10.0 109.997 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.65 -124.67 3.88 Favored Glycine 0 C--O 1.212 -1.226 0 CA-C-N 112.293 -2.23 . . . . 10.0 113.6 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.73 -48.66 2.02 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 111.198 -2.501 . . . . 10.0 114.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 165.42 0.14 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 127.96 3.287 . . . . 10.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -121.38 124.97 45.83 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 127.561 3.038 . . . . 10.0 114.068 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.93 7.2 59.98 Favored Glycine 0 C--O 1.209 -1.455 0 O-C-N 125.189 1.556 . . . . 10.0 109.804 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.13 164.2 25.89 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.017 -2.091 . . . . 10.0 109.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 106.9 140.69 9.81 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 110.424 -1.07 . . . . 10.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.93 167.03 10.85 Favored 'General case' 0 CA--C 1.494 -1.181 0 O-C-N 126.125 1.721 . . . . 10.0 111.786 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 107' ' ' THR . 0.9 OUTLIER -141.63 112.46 7.25 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.26 -1.791 . . . . 10.0 110.072 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.408 ' HG3' HD13 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -89.94 168.07 12.31 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.501 -2.136 . . . . 10.0 114.344 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.5 140.96 0.12 Allowed 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 126.377 2.298 . . . . 10.0 111.92 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.563 HG12 HD12 ' A' ' 115' ' ' LEU . 72.4 mt -115.63 136.22 53.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 O-C-N 127.432 2.958 . . . . 10.0 108.546 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.7 12.47 17.13 Favored 'General case' 0 CA--C 1.495 -1.145 0 O-C-N 127.2 2.812 . . . . 10.0 115.182 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.99 -95.26 0.43 Allowed Glycine 0 C--O 1.209 -1.412 0 CA-C-O 123.553 1.641 . . . . 10.0 111.847 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.5 34.69 3.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 113.239 -1.48 . . . . 10.0 110.615 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -163.46 118.52 1.65 Allowed 'General case' 0 C--O 1.21 -0.981 0 O-C-N 127.176 2.798 . . . . 10.0 111.954 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.563 HD12 HG12 ' A' ' 110' ' ' ILE . 0.7 OUTLIER -97.85 98.42 9.81 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-O 125.069 2.366 . . . . 10.0 113.678 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 157.67 26.71 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 110.691 -2.959 . . . . 10.0 112.869 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 108' ' ' GLN . 40.0 tp -149.93 131.47 14.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 126.547 2.405 . . . . 10.0 108.922 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.54 90.81 3.43 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 125.967 2.042 . . . . 10.0 111.595 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 12.9 mtt -85.68 151.89 23.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.399 -1.728 . . . . 10.0 111.422 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -149.32 152.62 36.17 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 112.625 -2.08 . . . . 10.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -178.54 123.83 0.1 Allowed 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 127.128 2.767 . . . . 10.0 109.627 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.62 40.7 20.23 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-O 125.698 2.666 . . . . 10.0 114.534 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.42 1.81 71.85 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 113.019 -1.9 . . . . 10.0 113.78 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.417 HG13 ' OE2' ' A' ' 18' ' ' GLU . 14.4 t -96.48 107.75 20.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 O-C-N 126.816 2.127 . . . . 10.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.08 148.32 24.53 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 113.399 -1.728 . . . . 10.0 112.871 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.1 t -156.11 133.91 11.12 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 123.029 1.395 . . . . 10.0 113.928 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -124.27 123.49 40.36 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 124.741 2.21 . . . . 10.0 112.738 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -105.71 167.84 9.5 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 112.146 -2.297 . . . . 10.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.49 HG12 HD23 ' A' ' 11' ' ' LEU . 2.3 t -129.17 129.59 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 125.57 1.794 . . . . 10.0 112.214 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -123.73 156.55 35.8 Favored 'General case' 0 CA--C 1.502 -0.893 0 O-C-N 125.451 1.719 . . . . 10.0 109.744 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.726 ' HB2' HD21 ' A' ' 11' ' ' LEU . 20.3 tptm -133.16 109.74 9.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.508 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 1.2 ttmm -55.68 130.89 45.0 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-O 123.432 1.587 . . . . 10.0 114.183 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.56 -11.14 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 110.804 -2.907 . . . . 10.0 114.019 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.491 ' CE1' ' HD3' ' A' ' 132' ' ' LYS . 2.2 m80 . . . . . 0 C--O 1.249 1.061 0 O-C-N 127.499 2.999 . . . . 10.0 111.559 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.711 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo . . . . . 0 N--CA 1.493 1.482 0 N-CA-C 114.624 0.971 . . . . 10.0 114.624 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.6 t -109.35 -27.92 2.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 N-CA-C 114.191 1.182 . . . . 10.0 114.191 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -20.76 113.12 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 128.502 3.626 . . . . 10.0 115.312 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 93' ' ' LEU . 1.5 m-85 -94.47 -37.89 11.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 111.926 -2.397 . . . . 10.0 110.247 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.99 109.73 0.32 Allowed 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 128.054 3.346 . . . . 10.0 109.808 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.32 174.43 39.03 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 126.122 2.139 . . . . 10.0 113.92 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 41' ' ' GLU . 12.3 m-85 -114.49 100.87 8.62 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 124.518 2.104 . . . . 10.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.721 ' CD2' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -102.9 120.85 41.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.152 -2.749 . . . . 10.0 113.361 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.97 154.12 18.32 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 113.434 -1.712 . . . . 10.0 108.488 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.461 ' HE3' ' HB3' ' A' ' 13' ' ' ASN . 2.0 ttp -99.79 141.02 33.16 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 127.207 2.817 . . . . 10.0 108.237 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.94 -53.34 2.66 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 110.656 -2.975 . . . . 10.0 113.159 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -168.14 126.79 1.2 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 111.678 -2.51 . . . . 10.0 113.41 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' ND2' ' CG ' ' A' ' 16' ' ' PHE . 7.7 p30 -94.82 171.92 8.48 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.173 -2.285 . . . . 10.0 112.876 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -138.51 134.09 33.48 Favored 'General case' 0 CA--C 1.499 -0.99 0 O-C-N 128.304 3.503 . . . . 10.0 109.628 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.58 22.07 6.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 125.781 1.926 . . . . 10.0 109.633 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CG ' ' ND2' ' A' ' 13' ' ' ASN . 10.3 t80 -61.34 -51.17 69.93 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.43 -1.714 . . . . 10.0 113.091 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.19 -25.55 64.39 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 125.051 2.358 . . . . 10.0 112.989 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.18 -25.97 42.71 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 108.972 -3.74 . . . . 10.0 112.43 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -75.49 -29.03 59.43 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 126.167 2.889 . . . . 10.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD21 ' C18' ' A' ' 135' ' ' RTL . 13.3 mt -73.76 -44.09 57.12 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 124.895 2.283 . . . . 10.0 112.202 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -62.1 -25.58 67.8 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 112.237 -2.256 . . . . 10.0 113.509 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.47 73.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 112.063 -2.335 . . . . 10.0 115.064 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.19 11.21 39.91 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 113.394 -1.73 . . . . 10.0 112.213 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.57 41.98 24.88 Favored 'General case' 0 CA--C 1.505 -0.768 0 O-C-N 128.485 3.616 . . . . 10.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.432 ' CG2' ' CB ' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -81.34 151.74 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.742 0 CA-C-N 112.457 -2.156 . . . . 10.0 109.564 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -47.73 143.66 3.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 123.765 1.745 . . . . 10.0 112.275 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 t -68.91 -31.47 50.7 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-O 125.083 2.373 . . . . 10.0 110.383 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.39 75.48 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 112.1 -2.318 . . . . 10.0 112.968 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 32' ' ' ILE . 19.3 tp -65.53 -30.54 71.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.621 -1.627 . . . . 10.0 114.342 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.5 OUTLIER -72.58 -30.02 64.03 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.347 -2.661 . . . . 10.0 109.343 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -34.46 67.54 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 112.46 -2.155 . . . . 10.0 109.379 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 29' ' ' LEU . 9.5 mt -77.19 -48.96 23.8 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.152 0 O-C-N 125.74 1.9 . . . . 10.0 109.731 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.46 -23.94 52.81 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-O 124.487 2.089 . . . . 10.0 115.12 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -73.79 -23.42 59.69 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 110.061 -3.245 . . . . 10.0 114.569 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.49 -4.52 48.0 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 112.624 -2.08 . . . . 10.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 57' ' ' PHE . 35.0 mt -107.24 172.47 6.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 112.917 -1.947 . . . . 10.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.25 69.44 0.03 OUTLIER Pre-proline 0 CA--C 1.503 -0.865 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -60.45 168.19 6.91 Favored 'Trans proline' 0 CA--C 1.501 -1.134 0 CA-C-O 126.13 2.471 . . . . 10.0 114.941 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -109.99 149.24 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 110.409 -3.087 . . . . 10.0 107.944 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.99 138.44 50.85 Favored 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.076 2.11 . . . . 10.0 114.474 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 7' ' ' TYR . 20.0 tt0 -120.63 110.18 16.11 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 124.709 2.195 . . . . 10.0 110.358 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.722 HD12 ' N ' ' A' ' 42' ' ' ILE . 4.7 mp -99.45 146.72 8.15 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.088 0 CA-C-N 110.605 -2.998 . . . . 10.0 112.95 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -146.44 78.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-N 110.481 -3.054 . . . . 10.0 110.013 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -55.77 168.35 0.45 Allowed 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 122.785 1.279 . . . . 10.0 113.257 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -149.45 154.38 38.74 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 109.134 -3.666 . . . . 10.0 108.191 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.46 106.27 1.01 Allowed Glycine 0 C--O 1.216 -1.002 0 CA-C-N 111.694 -2.503 . . . . 10.0 113.182 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 86.74 -17.44 0.36 Allowed 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 129.677 3.81 . . . . 10.0 113.739 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -114.36 -166.47 1.11 Allowed 'General case' 0 CA--C 1.5 -0.958 0 O-C-N 125.082 1.489 . . . . 10.0 109.233 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -171.57 133.67 0.8 Allowed 'General case' 0 C--O 1.212 -0.886 0 CA-C-O 123.055 1.407 . . . . 10.0 109.608 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.3 mt -126.03 134.26 66.94 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 CA-C-N 111.357 -2.656 . . . . 10.0 110.626 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mt -122.12 135.85 60.9 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 O-C-N 127.766 3.166 . . . . 10.0 110.227 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.2 111.91 19.44 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 113.235 -1.802 . . . . 10.0 108.487 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 54.9 m -101.36 113.9 27.39 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 109.006 -3.725 . . . . 10.0 108.191 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mt -104.45 114.14 28.16 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 127.881 3.238 . . . . 10.0 112.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 130.79 14.6 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 128.867 3.854 . . . . 10.0 108.834 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.79 -24.11 8.22 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 113.471 -1.695 . . . . 10.0 109.982 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 36' ' ' LEU . 34.2 m-85 -91.74 -20.3 21.69 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 124.59 1.181 . . . . 10.0 114.026 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 59' ' ' ASN . 23.3 ttm105 -169.12 149.53 4.24 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 124.974 2.321 . . . . 10.0 113.256 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -123.95 98.7 5.92 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 111.754 -2.475 . . . . 10.0 109.331 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.463 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 10.9 t80 -100.66 114.45 28.18 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 113.567 -1.651 . . . . 10.0 113.907 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.58 136.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 126.678 2.486 . . . . 10.0 109.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.2 mmm -150.87 154.28 36.92 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 110.81 -2.904 . . . . 10.0 111.462 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 3.5 p-10 -119.3 94.12 4.32 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 112.978 -1.919 . . . . 10.0 111.794 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -75.52 156.3 35.27 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 112.208 -2.269 . . . . 10.0 112.77 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -129.88 104.48 7.4 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 124.492 2.091 . . . . 10.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.46 123.59 23.45 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 CA-C-N 111.466 -2.606 . . . . 10.0 113.674 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.0 -20.55 43.01 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 111.983 -2.371 . . . . 10.0 112.069 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.26 153.72 30.39 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 123.966 1.841 . . . . 10.0 113.68 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -87.2 141.19 28.83 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 111.559 -2.564 . . . . 10.0 111.822 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -152.29 175.38 12.71 Favored 'General case' 0 CA--C 1.511 -0.519 0 O-C-N 126.63 2.456 . . . . 10.0 112.95 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -85.75 119.99 26.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 112.328 -2.214 . . . . 10.0 109.848 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.81 89.8 3.79 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 126.203 2.906 . . . . 10.0 113.758 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.44 107.41 1.36 Allowed 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 109.978 -3.283 . . . . 10.0 112.736 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.495 ' CD1' HD13 ' A' ' 77' ' ' ILE . 7.1 tp -105.93 39.74 1.72 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 124.453 2.073 . . . . 10.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.612 HG23 ' OD2' ' A' ' 79' ' ' ASP . 38.5 m -83.73 1.7 41.42 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.365 -1.743 . . . . 10.0 112.068 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.426 ' HA2' ' NE ' ' A' ' 58' ' ' ARG . . . -92.41 -9.15 61.98 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 113.607 -1.633 . . . . 10.0 110.608 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.508 HG23 H183 ' A' ' 135' ' ' RTL . 3.7 mp -119.61 -66.55 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 O-C-N 127.288 2.405 . . . . 10.0 110.216 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.432 ' CB ' ' CG2' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -123.43 -38.16 2.58 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.451 1.719 . . . . 10.0 114.959 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 75' ' ' THR . 31.7 t0 85.76 93.92 0.03 OUTLIER 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 124.659 2.171 . . . . 10.0 113.404 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -123.31 -55.27 1.76 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.11 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.93 111.11 0.06 Allowed 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 125.564 1.79 . . . . 10.0 113.3 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 -175.46 4.45 Favored 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 117.667 -1.613 . . . . 10.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.2 mtt -98.45 117.13 32.19 Favored 'General case' 0 CA--C 1.506 -0.75 0 O-C-N 126.815 2.572 . . . . 10.0 108.361 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.9 m -121.2 144.68 48.46 Favored 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 128.943 3.902 . . . . 10.0 114.381 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.6 137.84 48.57 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 110.41 -3.087 . . . . 10.0 108.784 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.13 135.62 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-N 112.561 -2.109 . . . . 10.0 109.87 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 m -126.71 136.65 52.73 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 111.757 -2.474 . . . . 10.0 113.91 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -84.7 81.12 9.01 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 127.682 3.114 . . . . 10.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.76 80.98 4.2 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.544 -3.026 . . . . 10.0 111.976 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.68 -123.05 6.26 Favored Glycine 0 C--O 1.216 -0.982 0 O-C-N 127.622 3.076 . . . . 10.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.88 11.63 31.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.349 -1.926 . . . . 10.0 111.363 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.52 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 21.2 mtmm -128.04 148.03 50.53 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 125.982 2.051 . . . . 10.0 110.348 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' A' ' 4' ' ' PHE . 6.3 tp -93.93 117.06 29.58 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.59 124.6 43.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.103 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.69 161.44 29.69 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.266 2.229 . . . . 10.0 111.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 97' ' ' GLN . 7.4 p -144.92 155.15 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-N 111.906 -2.406 . . . . 10.0 111.782 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' N ' HG22 ' A' ' 96' ' ' VAL . 28.5 mt-30 -131.33 140.51 49.75 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 123.749 0.656 . . . . 10.0 112.367 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -107.8 69.91 0.75 Allowed 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 128.288 3.492 . . . . 10.0 111.499 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -136.85 70.96 0.48 Allowed Glycine 0 C--N 1.352 1.447 0 CA-C-N 112.702 -2.044 . . . . 10.0 114.509 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 53.47 -169.52 0.05 Allowed 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 124.476 0.751 . . . . 10.0 111.324 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.64 179.15 0.08 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -141.09 120.07 12.75 Favored 'General case' 0 CA--C 1.498 -1.019 0 C-N-CA 118.806 -1.157 . . . . 10.0 111.697 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.2 -3.19 16.38 Favored Glycine 0 C--O 1.211 -1.343 0 CA-C-N 114.395 -1.275 . . . . 10.0 112.065 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.575 ' H ' ' NE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -62.77 131.22 48.13 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 124.733 2.206 . . . . 10.0 108.151 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 148.71 138.31 2.97 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 111.031 -2.804 . . . . 10.0 112.077 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -117.45 159.78 22.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 126.831 2.136 . . . . 10.0 110.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.4 m -149.87 141.73 23.76 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 111.503 -2.589 . . . . 10.0 109.391 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.69 161.21 32.14 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 128.188 3.43 . . . . 10.0 112.51 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.52 ' CE3' ' HD3' ' A' ' 92' ' ' LYS . 16.2 t-105 -168.62 136.28 2.04 Favored 'General case' 0 N--CA 1.468 0.449 1 O-C-N 129.332 4.145 . . . . 10.0 110.238 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.89 136.06 48.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 O-C-N 128.1 3.375 . . . . 10.0 113.223 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.18 -46.94 11.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 112.293 -2.23 . . . . 10.0 112.214 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.47 52.09 0.16 Allowed Glycine 0 C--O 1.213 -1.192 0 O-C-N 127.259 2.849 . . . . 10.0 110.829 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 159.38 -33.38 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 112.191 -2.004 . . . . 10.0 112.7 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -139.72 137.87 35.5 Favored 'General case' 0 C--O 1.214 -0.798 0 O-C-N 127.832 3.207 . . . . 10.0 110.637 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -95.54 133.13 39.91 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 112.773 -2.012 . . . . 10.0 111.239 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -121.98 100.55 7.04 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 110.502 -3.044 . . . . 10.0 112.114 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 128' ' ' GLN . 1.3 tp -103.15 146.65 28.08 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 124.632 2.158 . . . . 10.0 109.842 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.06 100.32 5.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.119 -2.31 . . . . 10.0 111.965 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.571 ' HE3' H191 ' A' ' 135' ' ' RTL . 9.3 mtt -88.1 146.56 25.37 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.718 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -138.7 153.4 48.52 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 114.272 -1.331 . . . . 10.0 112.972 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 175.78 138.55 0.05 Allowed 'General case' 0 C--O 1.209 -1.039 0 O-C-N 123.831 0.707 . . . . 10.0 112.183 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.32 20.35 4.59 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 125.584 1.802 . . . . 10.0 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.88 19.19 58.29 Favored Glycine 0 N--CA 1.473 1.134 0 CA-C-O 123.004 1.335 . . . . 10.0 111.736 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 44.4 t -107.21 143.82 17.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 114.332 -0.934 . . . . 10.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 98.7 m -122.46 103.36 8.66 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 124.828 1.33 . . . . 10.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -114.68 121.31 42.98 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 125.778 1.924 . . . . 10.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -109.83 141.5 42.42 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 126.91 2.631 . . . . 10.0 109.587 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.496 ' HB2' HD23 ' A' ' 117' ' ' LEU . 17.5 mt-30 -121.56 114.56 21.38 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 111.853 -2.431 . . . . 10.0 111.29 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.9 t -83.78 125.47 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 127.224 2.827 . . . . 10.0 113.234 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.483 ' HB2' ' CB ' ' A' ' 115' ' ' LEU . 39.7 m-85 -113.93 165.07 12.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 114.998 -1.001 . . . . 10.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -144.1 95.86 2.79 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.939 -1.482 . . . . 10.0 114.096 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -49.8 126.21 13.45 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.031 -1.895 . . . . 10.0 113.473 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.4 t -103.01 -15.81 7.79 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 O-C-N 124.868 1.355 . . . . 10.0 113.494 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 C--O 1.257 1.468 0 O-C-N 125.307 1.629 . . . . 10.0 112.946 -179.821 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.736 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 N--CA 1.508 2.38 0 CA-C-O 122.526 0.969 . . . . 10.0 112.556 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -125.98 108.45 19.42 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 CA-C-N 111.822 -2.444 . . . . 10.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -102.07 112.03 24.53 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-N 112.607 -2.088 . . . . 10.0 109.079 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -78.32 -8.1 58.02 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 127.302 2.876 . . . . 10.0 113.993 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -66.54 129.65 40.56 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 118.669 -1.212 . . . . 10.0 112.526 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.82 -173.27 22.69 Favored Glycine 0 C--O 1.21 -1.362 0 O-C-N 126.735 2.522 . . . . 10.0 108.785 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 41' ' ' GLU . 3.3 m-85 -103.41 149.75 24.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 128.599 3.176 . . . . 10.0 109.351 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.71 ' CE3' HD12 ' A' ' 115' ' ' LEU . 1.7 m95 -148.88 115.1 5.81 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 126.553 2.408 . . . . 10.0 111.571 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -97.33 161.55 13.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 127.338 2.899 . . . . 10.0 108.367 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.436 ' HE3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.87 127.9 44.92 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.772 3.17 . . . . 10.0 109.781 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 11' ' ' LEU . 1.1 mm? -85.69 -67.75 0.78 Allowed 'General case' 0 C--O 1.215 -0.754 0 O-C-N 125.646 1.841 . . . . 10.0 111.299 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 p -147.37 172.35 14.04 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.954 -2.839 . . . . 10.0 111.22 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -123.54 -176.48 3.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 125.156 1.535 . . . . 10.0 109.984 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.28 -45.74 0.63 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 113.907 1.077 . . . . 10.0 113.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.75 39.41 1.14 Allowed 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 126.246 2.927 . . . . 10.0 113.012 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.624 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 27.2 t80 -69.07 -29.73 67.9 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 112.119 -2.309 . . . . 10.0 113.294 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.88 -38.76 64.3 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.012 -1.449 . . . . 10.0 114.166 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.35 -26.84 62.99 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.686 -1.143 . . . . 10.0 111.97 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.581 ' HA ' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -70.82 -36.59 73.0 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 127.611 3.069 . . . . 10.0 112.293 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 20' ' ' LEU . 24.6 mt -67.9 -23.49 65.11 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 110.773 -2.921 . . . . 10.0 114.953 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -71.86 -26.87 62.53 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.033 -1.439 . . . . 10.0 112.729 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.15 92.87 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 127.46 2.975 . . . . 10.0 115.017 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.29 1.57 57.01 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 126.766 2.541 . . . . 10.0 112.507 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.01 48.45 10.78 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 111.983 -2.372 . . . . 10.0 112.566 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.77 129.75 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 113.159 -1.837 . . . . 10.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 1.7 m120 -49.59 158.0 0.49 Allowed 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 122.338 1.066 . . . . 10.0 112.6 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.62 -23.36 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 113.084 -1.871 . . . . 10.0 112.852 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.28 72.95 Favored 'General case' 0 CA--C 1.499 -0.997 0 O-C-N 126.224 2.202 . . . . 10.0 112.394 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD2' ' H42' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -74.92 -30.63 61.32 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.852 -1.522 . . . . 10.0 111.812 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -77.78 -24.53 48.89 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-O 125.317 2.484 . . . . 10.0 114.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -36.48 63.16 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 110.502 -3.045 . . . . 10.0 108.535 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -42.33 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.875 0 CA-C-N 109.031 -3.713 . . . . 10.0 111.445 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.624 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -59.6 -35.72 74.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 113.697 -1.592 . . . . 10.0 115.222 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -22.87 64.83 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 122.525 1.155 . . . . 10.0 114.095 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -112.43 20.44 16.67 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 123.562 1.649 . . . . 10.0 113.351 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 HD12 H161 ' A' ' 135' ' ' RTL . 0.2 OUTLIER -91.74 -75.76 0.47 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.509 -2.132 . . . . 10.0 113.234 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 49.07 72.29 1.31 Allowed Pre-proline 0 C--O 1.208 -1.125 0 CA-C-O 125.578 2.609 . . . . 10.0 108.0 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' HE3' ' A' ' 10' ' ' MET . 11.8 Cg_exo -61.55 152.37 73.85 Favored 'Trans proline' 0 CA--C 1.499 -1.251 0 CA-C-N 111.508 -1.997 . . . . 10.0 114.849 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -107.78 88.21 2.68 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 127.606 3.066 . . . . 10.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.11 155.33 24.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.899 1.074 . . . . 10.0 113.899 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -139.39 110.21 6.76 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.872 -2.877 . . . . 10.0 107.792 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.3 mt -108.8 134.79 49.65 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 O-C-N 128.45 3.594 . . . . 10.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -135.75 102.81 3.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 111.64 -2.527 . . . . 10.0 112.834 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.39 145.29 32.08 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.41 -0.814 . . . . 10.0 109.98 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -158.87 90.36 0.99 Allowed 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 112.133 -2.303 . . . . 10.0 114.284 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.66 -109.81 2.89 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 110.568 -3.014 . . . . 10.0 111.446 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.61 0.01 41.25 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 119.647 -0.821 . . . . 10.0 109.861 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -98.29 157.83 15.94 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.758 1.911 . . . . 10.0 110.705 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -150.89 79.92 1.32 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-O 123.687 1.708 . . . . 10.0 108.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.8 mt -70.21 140.22 18.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-O 124.441 2.067 . . . . 10.0 111.065 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 51' ' ' ILE . 1.9 mt -134.84 122.21 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 112.703 -2.044 . . . . 10.0 111.563 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -108.64 172.93 6.56 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 123.827 1.775 . . . . 10.0 109.917 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 60' ' ' TYR . 11.4 m -153.82 105.16 2.75 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 110.616 -2.993 . . . . 10.0 110.991 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 mt -107.04 126.35 52.22 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 110.924 -2.853 . . . . 10.0 111.781 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -139.75 -46.68 0.45 Allowed 'General case' 0 C--O 1.208 -1.107 0 O-C-N 127.78 3.175 . . . . 10.0 112.825 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 55' ' ' SER . 5.4 t 117.34 -7.75 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.746 1 O-C-N 130.726 5.016 . . . . 10.0 109.966 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -96.74 -58.18 2.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 110.965 -2.834 . . . . 10.0 108.341 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.466 ' HB3' H173 ' A' ' 135' ' ' RTL . 0.1 OUTLIER -131.99 130.91 42.04 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 108.913 -3.767 . . . . 10.0 110.772 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -103.04 95.33 6.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.728 -1.578 . . . . 10.0 109.39 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.462 ' CB ' ' HB ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -97.33 138.8 34.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 112.842 -1.981 . . . . 10.0 112.817 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.3 mp -142.48 126.07 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 CA-C-N 109.735 -3.393 . . . . 10.0 109.53 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -143.55 104.69 4.25 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 127.586 3.054 . . . . 10.0 113.197 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 77.48 1.64 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.173 -1.83 . . . . 10.0 108.213 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.713 ' CE1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.36 114.73 9.74 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 112.031 -2.35 . . . . 10.0 112.517 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.39 135.01 42.49 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 126.079 2.112 . . . . 10.0 111.997 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.4 130.94 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 124.471 1.107 . . . . 10.0 112.436 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.19 87.08 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-O 124.537 2.187 . . . . 10.0 114.357 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.14 138.96 54.36 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 112.238 -1.981 . . . . 10.0 113.398 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -106.61 145.98 31.26 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 125.811 1.944 . . . . 10.0 113.335 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -154.32 177.93 10.59 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 111.817 -2.447 . . . . 10.0 109.17 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -83.53 145.7 28.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 124.33 2.014 . . . . 10.0 108.513 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -123.37 80.35 1.77 Allowed 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 109.699 -3.409 . . . . 10.0 109.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.69 94.22 0.12 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.081 -3.236 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 74' ' ' LEU . 3.5 tp -111.75 46.64 1.11 Allowed 'General case' 0 C--O 1.208 -1.117 0 O-C-N 127.86 3.225 . . . . 10.0 107.873 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 11.3 t -95.85 17.53 15.03 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 109.499 -3.5 . . . . 10.0 113.943 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 77' ' ' ILE . . . -124.91 0.25 8.37 Favored Glycine 0 C--O 1.222 -0.634 0 CA-C-N 112.64 -2.073 . . . . 10.0 112.914 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 77' ' ' ILE . 2.3 mp -108.09 -60.65 2.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-O 125.285 2.469 . . . . 10.0 106.977 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 23.4 p-10 -125.16 4.05 7.87 Favored 'General case' 0 C--O 1.213 -0.852 1 CA-C-N 108.399 -4.001 . . . . 10.0 112.724 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 3.7 m-20 71.45 38.96 0.96 Allowed 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 126.223 2.202 . . . . 10.0 114.891 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.08 -172.15 2.62 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 121.938 0.875 . . . . 10.0 112.807 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.25 153.46 25.64 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.643 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.39 162.38 3.54 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.242 2.214 . . . . 10.0 113.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.8 mtt -88.61 126.99 35.55 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 111.867 -2.424 . . . . 10.0 112.299 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 m -121.9 146.55 47.01 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 125.427 1.704 . . . . 10.0 113.868 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.2 173.14 11.8 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 111.569 -2.559 . . . . 10.0 109.543 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.713 HG23 ' CE1' ' A' ' 64' ' ' PHE . 15.9 t -142.87 129.78 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 125.24 2.448 . . . . 10.0 111.232 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.8 p -135.01 101.48 4.9 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 111.36 -2.655 . . . . 10.0 113.865 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -74.08 149.64 41.0 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 124.359 2.028 . . . . 10.0 111.664 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -102.54 -54.76 2.59 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 113.657 -1.61 . . . . 10.0 109.304 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.46 98.24 0.25 Allowed Glycine 0 C--O 1.211 -1.289 0 CA-C-O 118.049 -1.417 . . . . 10.0 110.966 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.1 t70 106.5 -11.9 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.75 1 O-C-N 130.469 4.276 . . . . 10.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -132.68 -179.69 5.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 126.818 2.574 . . . . 10.0 108.947 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 tp -147.7 126.72 12.82 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 127.241 2.838 . . . . 10.0 113.282 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -119.47 140.63 50.15 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.578 -1.646 . . . . 10.0 113.363 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.3 t -136.09 98.56 3.9 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 124.904 1.377 . . . . 10.0 109.728 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -96.16 146.45 7.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 1 O-C-N 129.4 4.188 . . . . 10.0 114.003 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -119.87 124.95 47.31 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 110.387 -3.097 . . . . 10.0 108.935 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -58.87 -53.14 61.71 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 126.331 2.269 . . . . 10.0 110.591 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 38.42 -153.93 0.02 OUTLIER Glycine 0 C--N 1.348 1.222 0 O-C-N 126.902 2.626 . . . . 10.0 114.421 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . 0.255 38.4 mm-40 -135.3 21.87 3.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 111.26 -2.47 . . . . 10.0 108.938 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.43 -165.24 0.98 Allowed 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 126.309 2.256 . . . . 10.0 111.763 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.87 109.54 7.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 112.358 -2.201 . . . . 10.0 111.766 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.62 -18.88 22.18 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 110.743 -2.935 . . . . 10.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.47 148.66 6.61 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.682 2.048 . . . . 10.0 109.721 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.57 112.34 3.17 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-N 109.621 -3.445 . . . . 10.0 107.476 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.472 ' CD1' ' HG2' ' A' ' 119' ' ' MET . 0.0 OUTLIER -88.06 138.38 31.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 123.386 1.565 . . . . 10.0 115.062 -179.366 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.27 144.48 31.29 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 109.704 -3.407 . . . . 10.0 107.111 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.41 ' NE2' HD22 ' A' ' 115' ' ' LEU . 7.7 tt0 -149.18 165.8 30.75 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 126.943 3.259 . . . . 10.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -163.29 157.23 19.96 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 110.217 -3.174 . . . . 10.0 110.487 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -115.73 148.2 18.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 CA-C-N 114.187 -1.37 . . . . 10.0 114.55 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.63 -137.48 0.33 Allowed 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 113.324 -1.762 . . . . 10.0 110.223 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.12 -102.12 0.01 OUTLIER Glycine 0 C--O 1.21 -1.347 0 CA-C-O 126.187 3.104 . . . . 10.0 113.668 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -112.73 34.47 4.37 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.351 -1.924 . . . . 10.0 113.351 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.83 165.76 26.63 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 112.291 -2.231 . . . . 10.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.71 HD12 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -125.62 134.56 51.85 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 125.937 2.023 . . . . 10.0 109.488 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -138.56 132.64 31.42 Favored 'General case' 0 CA--C 1.503 -0.862 0 O-C-N 125.93 2.019 . . . . 10.0 111.927 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -137.67 155.97 48.55 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 126.367 2.292 . . . . 10.0 109.797 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -114.48 88.98 2.98 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 111.36 -2.654 . . . . 10.0 109.44 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -72.83 129.06 37.32 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.473 -2.603 . . . . 10.0 111.988 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -131.66 158.1 41.99 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 126.14 2.15 . . . . 10.0 111.497 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' VAL . . . -179.34 130.92 0.11 Allowed 'General case' 0 N--CA 1.471 0.581 0 O-C-N 127.378 2.924 . . . . 10.0 113.053 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 46.82 39.27 7.06 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 126.803 2.564 . . . . 10.0 113.861 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.74 11.11 85.75 Favored Glycine 0 C--N 1.348 1.21 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.805 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' ' 19' ' ' TYR . 8.0 t -98.55 153.02 4.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-O 121.119 0.485 . . . . 10.0 110.542 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.8 m -133.73 121.7 22.3 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 114.525 -1.216 . . . . 10.0 113.349 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -133.05 124.21 27.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 112.181 -2.281 . . . . 10.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -105.29 105.06 14.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 125.032 2.349 . . . . 10.0 115.191 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.573 ' HG3' HD21 ' A' ' 117' ' ' LEU . 3.3 mt-30 -88.3 142.3 27.85 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 112.103 -2.317 . . . . 10.0 108.451 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.2 t -125.05 102.37 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 126.691 2.494 . . . . 10.0 112.09 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 1.9 m-30 -88.47 170.97 10.44 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 126.078 2.111 . . . . 10.0 108.4 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -148.79 134.72 19.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 113.272 -1.785 . . . . 10.0 110.28 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.536 ' HE2' ' CH2' ' A' ' 8' ' ' TRP . 2.4 tppp? -73.93 136.52 43.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 112.525 -2.125 . . . . 10.0 112.499 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.52 -37.27 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 CA-C-N 111.604 -2.544 . . . . 10.0 113.252 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-O 115.361 -2.257 . . . . 10.0 109.222 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.558 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.492 1.42 0 CA-C-O 123.484 1.368 . . . . 10.0 111.352 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.26 131.43 40.29 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 CA-C-N 113.437 -1.71 . . . . 10.0 109.577 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.81 97.91 1.6 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.333 -1.758 . . . . 10.0 109.837 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 42' ' ' ILE . 52.0 m-85 -80.91 -36.22 31.41 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 126.887 2.617 . . . . 10.0 113.2 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.12 144.27 7.21 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 124.987 2.327 . . . . 10.0 113.278 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.63 -159.49 21.52 Favored Glycine 0 CA--C 1.505 -0.554 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.769 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -115.54 122.25 45.11 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 125.696 1.469 . . . . 10.0 113.038 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 4.1 m95 -125.8 120.71 31.27 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 114.208 1.188 . . . . 10.0 114.208 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -102.78 -174.81 2.64 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 128.156 3.41 . . . . 10.0 108.472 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.44 -177.19 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.793 1.308 . . . . 10.0 110.94 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 mt -152.69 -53.21 0.11 Allowed 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 125.038 2.351 . . . . 10.0 114.684 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -144.48 158.53 43.71 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 111.462 -2.608 . . . . 10.0 113.734 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 1.1 m120 -133.68 157.83 44.79 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 124.733 2.206 . . . . 10.0 110.472 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -157.22 120.6 4.1 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 111.421 -2.627 . . . . 10.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 79.98 3.64 2.0 Allowed 'General case' 0 C--O 1.211 -0.959 0 O-C-N 127.53 3.019 . . . . 10.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -66.15 -29.27 69.54 Favored 'General case' 0 C--O 1.208 -1.11 0 O-C-N 123.861 0.726 . . . . 10.0 112.86 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -78.35 -42.04 31.72 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 125.846 2.736 . . . . 10.0 108.909 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -70.44 -28.4 65.01 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 109.39 -3.55 . . . . 10.0 114.055 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.484 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.8 t80 -75.02 -24.34 58.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 112.633 -2.076 . . . . 10.0 111.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.6 mt -72.15 -27.99 62.96 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 125.817 2.722 . . . . 10.0 112.88 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -71.52 -24.97 62.06 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 111.46 -2.609 . . . . 10.0 109.921 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 19' ' ' TYR . . . -69.3 -38.4 78.26 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 128.358 3.536 . . . . 10.0 110.507 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -103.52 21.91 15.22 Favored 'General case' 0 C--O 1.211 -0.967 0 N-CA-C 114.065 1.135 . . . . 10.0 114.065 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 45.37 71.79 0.25 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 128.882 3.864 . . . . 10.0 112.876 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.0 143.79 13.76 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.075 0 CA-C-N 112.908 -1.951 . . . . 10.0 108.209 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -53.32 159.63 1.33 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 125.367 2.508 . . . . 10.0 111.801 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 t -73.66 -39.53 53.43 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 110.509 -3.041 . . . . 10.0 113.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -72.82 -30.16 63.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 113.615 -1.63 . . . . 10.0 112.661 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.404 HD21 ' H42' ' A' ' 135' ' ' RTL . 5.7 tt -76.16 -28.21 57.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.522 1.153 . . . . 10.0 111.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.82 -29.43 50.64 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 113.028 -1.897 . . . . 10.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.61 -39.12 70.67 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 112.994 -1.912 . . . . 10.0 110.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 28' ' ' ALA . 21.2 mt -77.64 -25.23 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 110.491 -3.049 . . . . 10.0 112.466 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.36 67.59 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.179 -1.373 . . . . 10.0 112.982 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -77.42 -27.49 52.28 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.547 -1.66 . . . . 10.0 111.793 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mt -104.02 42.65 1.16 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.233 0.613 . . . . 10.0 111.771 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.665 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -131.53 -72.16 0.55 Allowed 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 126.473 2.358 . . . . 10.0 111.758 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt 51.9 70.86 1.69 Allowed Pre-proline 0 C--O 1.208 -1.11 0 CA-C-N 114.068 -1.423 . . . . 10.0 112.382 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 22.9 Cg_endo -68.44 171.43 12.97 Favored 'Trans proline' 0 C--N 1.326 -0.637 0 O-C-N 124.885 1.992 . . . . 10.0 113.629 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -119.44 134.46 55.21 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 110.088 -3.233 . . . . 10.0 108.853 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -98.63 141.24 31.7 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 127.32 2.887 . . . . 10.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.44 105.93 8.65 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 127.423 2.952 . . . . 10.0 108.069 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 4' ' ' PHE . 5.4 mt -100.6 144.44 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 C-N-CA 116.667 -2.013 . . . . 10.0 109.535 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.7 103.26 2.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.594 -1.639 . . . . 10.0 109.178 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -77.07 135.97 38.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 126.301 2.251 . . . . 10.0 109.428 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.11 49.21 1.95 Allowed 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 124.922 2.296 . . . . 10.0 109.662 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.02 -91.71 0.53 Allowed Glycine 0 C--O 1.21 -1.351 0 CA-C-N 110.474 -3.057 . . . . 10.0 111.54 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.27 -54.82 11.1 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 123.055 1.407 . . . . 10.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -74.85 156.73 36.14 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.578 -2.101 . . . . 10.0 112.538 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.03 78.59 1.35 Allowed 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.703 -2.953 . . . . 10.0 109.054 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 62' ' ' MET . 3.6 mt -78.86 128.48 38.44 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 CA-C-N 111.761 -2.472 . . . . 10.0 112.873 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.586 HD13 ' CE ' ' A' ' 62' ' ' MET . 4.0 mp -114.21 138.05 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 110.358 -3.11 . . . . 10.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -120.67 101.46 7.75 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 109.983 -3.28 . . . . 10.0 113.497 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.459 HG21 ' H10' ' A' ' 135' ' ' RTL . 33.4 m -89.07 86.47 6.91 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 114.381 -1.281 . . . . 10.0 109.274 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -79.34 96.01 5.87 Favored 'General case' 0 CA--C 1.496 -1.102 0 O-C-N 125.812 1.945 . . . . 10.0 114.224 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -132.88 122.41 24.33 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 111.752 -2.476 . . . . 10.0 108.677 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.78 1.07 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 126.493 3.044 . . . . 10.0 114.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.665 ' HB2' HD21 ' A' ' 36' ' ' LEU . 5.6 t80 -82.25 -57.44 3.38 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 110.557 -3.02 . . . . 10.0 110.265 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.96 127.87 29.43 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 124.849 2.261 . . . . 10.0 113.512 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -99.01 86.1 3.39 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 113.458 -1.701 . . . . 10.0 111.689 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.95 130.25 36.18 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 126.898 2.624 . . . . 10.0 113.527 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' MET . 5.7 mt -136.85 152.59 28.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 126.177 2.173 . . . . 10.0 112.147 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.586 ' CE ' HD13 ' A' ' 51' ' ' ILE . 5.6 mtm -144.72 177.78 8.45 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 111.997 -2.365 . . . . 10.0 109.477 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -140.07 46.9 1.83 Allowed 'General case' 0 CA--C 1.502 -0.892 0 O-C-N 127.692 3.12 . . . . 10.0 109.144 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE1' ' CE1' ' A' ' 70' ' ' PHE . 1.3 m-85 -45.7 105.81 0.07 Allowed 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 113.56 -1.655 . . . . 10.0 114.05 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 10.6 mt-30 -88.72 120.41 30.09 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 125.964 2.04 . . . . 10.0 108.372 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.92 110.44 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 114.653 1.353 . . . . 10.0 114.653 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.43 -15.05 57.79 Favored Glycine 0 C--O 1.214 -1.118 0 O-C-N 127.614 3.071 . . . . 10.0 111.793 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 5.3 tptt -98.28 150.45 21.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 111.368 -2.416 . . . . 10.0 111.757 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -98.54 119.64 37.6 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 111.406 -2.633 . . . . 10.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.497 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 18.0 p90 -136.97 153.59 50.65 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 123.957 0.903 . . . . 10.0 112.303 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -76.47 115.79 16.56 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 127.14 2.775 . . . . 10.0 112.553 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -105.35 117.94 35.3 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 126.004 2.065 . . . . 10.0 112.823 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -92.52 106.87 18.78 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 125.609 2.623 . . . . 10.0 110.934 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.3 mt -96.33 58.54 1.79 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 125.203 2.43 . . . . 10.0 108.83 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 t -101.88 141.28 34.97 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 110.809 -2.905 . . . . 10.0 107.238 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.81 -0.64 70.2 Favored Glycine 0 C--O 1.218 -0.901 0 N-CA-C 108.725 -1.75 . . . . 10.0 108.725 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -64.42 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 O-C-N 127.769 2.688 . . . . 10.0 107.561 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.96 11.66 1.6 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 109.773 -3.376 . . . . 10.0 114.017 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 t70 55.74 72.99 0.45 Allowed 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.08 147.57 5.59 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.295 -0.86 . . . . 10.0 109.445 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -129.13 143.0 50.71 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 126.309 2.256 . . . . 10.0 108.552 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.96 -178.56 7.39 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 114.94 -1.027 . . . . 10.0 109.203 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.1 mtt -98.18 126.97 43.87 Favored 'General case' 0 C--O 1.208 -1.125 0 O-C-N 125.496 1.748 . . . . 10.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 8.9 m -119.72 140.5 50.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 112.7 -2.045 . . . . 10.0 114.615 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.3 m -136.61 134.25 37.17 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.816 -1.993 . . . . 10.0 112.926 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.2 t -97.77 148.67 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 113.051 -1.886 . . . . 10.0 108.389 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.4 t -114.13 -44.37 3.14 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 125.072 1.483 . . . . 10.0 112.727 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 93' ' ' LEU . 8.4 t90 70.93 94.03 0.08 Allowed 'General case' 0 C--O 1.218 -0.604 0 O-C-N 126.487 2.367 . . . . 10.0 112.049 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.83 107.36 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 113.331 -1.759 . . . . 10.0 107.84 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -40.77 94.16 0.01 OUTLIER Glycine 0 C--O 1.213 -1.21 0 O-C-N 129.023 3.952 . . . . 10.0 113.612 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 136.2 -47.57 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.111 4.065 . . . . 10.0 111.542 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -136.9 107.36 6.48 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 111.595 -2.548 . . . . 10.0 112.555 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 88' ' ' TRP . 7.0 tt -54.02 139.35 34.83 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.847 -1.524 . . . . 10.0 113.848 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HG3' HG23 ' A' ' 107' ' ' THR . 7.6 mt-30 -134.69 136.39 42.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.346 -1.297 . . . . 10.0 113.757 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 59.4 m -120.13 113.45 20.48 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 126.45 2.344 . . . . 10.0 109.47 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.35 135.53 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 O-C-N 126.976 2.672 . . . . 10.0 113.721 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' NE2' ' CZ2' ' A' ' 106' ' ' TRP . 10.8 mt-30 -120.23 137.89 53.96 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 113.736 -1.575 . . . . 10.0 107.839 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -48.09 51.65 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 110.35 -3.114 . . . . 10.0 113.47 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 26.83 -121.87 0.05 OUTLIER Glycine 0 C--O 1.219 -0.835 0 O-C-N 128.245 3.466 . . . . 10.0 113.71 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -167.02 37.09 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.897 0 O-C-N 126.751 2.089 . . . . 10.0 112.206 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HB3' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -119.38 -173.75 2.58 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 111.793 -2.458 . . . . 10.0 113.837 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -74.8 -71.55 0.34 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 112.233 -2.258 . . . . 10.0 116.08 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -104.71 -6.42 40.68 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-O 117.038 -1.979 . . . . 10.0 115.019 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -10.83 71.97 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.055 3.312 . . . . 10.0 115.501 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 103' ' ' GLY . . . -175.09 158.83 26.78 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 110.938 -2.846 . . . . 10.0 111.537 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.413 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 1.3 m0 -124.12 152.23 43.01 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 113.727 -1.237 . . . . 10.0 113.619 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 94' ' ' GLN . 90.7 m -134.81 143.34 47.01 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 127.961 3.288 . . . . 10.0 110.667 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -119.72 142.18 48.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 124.035 1.874 . . . . 10.0 110.693 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -147.05 123.93 11.29 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 110.996 -2.82 . . . . 10.0 110.266 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.49 135.23 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 124.073 1.892 . . . . 10.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -125.76 70.17 1.2 Allowed 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 124.079 1.895 . . . . 10.0 111.275 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.32 -97.71 1.58 Allowed Glycine 0 C--O 1.216 -0.984 0 CA-C-N 113.558 -1.656 . . . . 10.0 113.01 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.58 24.97 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.444 0.732 . . . . 10.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.9 142.14 28.47 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 123.63 1.681 . . . . 10.0 112.415 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.73 123.59 35.24 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 109.391 -3.55 . . . . 10.0 113.404 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.35 103.89 13.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 112.061 -2.336 . . . . 10.0 109.938 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.5 tp -102.95 137.06 41.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 123.754 1.74 . . . . 10.0 113.571 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.34 103.7 7.79 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.822 -1.99 . . . . 10.0 111.01 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 7.5 mtm -105.13 154.71 19.81 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 113.371 -1.74 . . . . 10.0 111.47 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -150.13 145.8 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.617 -2.538 . . . . 10.0 113.128 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.8 117.99 0.19 Allowed 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 111.984 -2.371 . . . . 10.0 114.314 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.82 30.27 6.35 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 111.94 -2.391 . . . . 10.0 114.464 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.38 -6.21 77.99 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-N 113.034 -1.894 . . . . 10.0 112.127 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.7 t -84.88 152.45 3.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 N-CA-C 108.463 -0.94 . . . . 10.0 108.463 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.2 m -126.77 106.62 9.48 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 128.438 3.586 . . . . 10.0 108.953 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.1 t -106.08 133.88 50.09 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.884 -1.053 . . . . 10.0 108.652 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -131.19 111.79 12.25 Favored 'General case' 0 C--O 1.207 -1.137 0 O-C-N 126.827 2.579 . . . . 10.0 109.172 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -103.47 133.02 49.21 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.088 2.118 . . . . 10.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.88 79.8 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 C-N-CA 117.475 -1.69 . . . . 10.0 115.398 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -82.82 148.12 27.96 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 126.451 2.345 . . . . 10.0 108.338 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -126.66 142.91 51.39 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 127.418 2.949 . . . . 10.0 114.17 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.65 148.46 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 110.285 -3.143 . . . . 10.0 109.109 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.61 -61.1 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 CA-C-N 115.11 -0.95 . . . . 10.0 111.914 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.348 0 CA-C-O 113.701 -3.047 . . . . 10.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.54 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.486 1.03 0 N-CA-C 109.764 -0.898 . . . . 10.0 109.764 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 p -76.79 149.28 6.4 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 113.411 -1.722 . . . . 10.0 109.061 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 168.19 126.9 0.01 OUTLIER 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 127.292 2.87 . . . . 10.0 109.892 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.606 ' CE1' HD11 ' A' ' 110' ' ' ILE . 66.9 m-85 -106.98 24.63 12.48 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 113.457 0.91 . . . . 10.0 113.457 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -96.31 137.09 35.9 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 123.081 1.42 . . . . 10.0 108.704 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.83 -131.39 5.59 Favored Glycine 0 C--O 1.216 -0.969 0 CA-C-O 126.251 3.139 . . . . 10.0 109.687 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -143.58 150.71 39.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.504 -2.348 . . . . 10.0 112.762 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.5 m95 -145.73 156.02 43.34 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 113.935 -1.484 . . . . 10.0 107.83 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -143.17 -179.75 6.58 Favored 'General case' 0 C--O 1.217 -0.618 1 O-C-N 130.34 4.775 . . . . 10.0 108.35 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.11 160.23 19.32 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 124.682 2.182 . . . . 10.0 113.192 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -146.03 -57.16 0.3 Allowed 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.392 -2.64 . . . . 10.0 110.563 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.52 162.71 39.1 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 129.123 4.014 . . . . 10.0 110.117 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.78 130.31 41.68 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 109.488 -3.506 . . . . 10.0 109.491 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.87 122.82 39.54 Favored 'General case' 0 C--O 1.209 -1.053 0 CA-C-N 113.903 -1.499 . . . . 10.0 113.609 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 46.67 31.15 1.3 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 126.303 2.954 . . . . 10.0 114.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 20' ' ' LEU . 47.9 t80 -65.58 -38.94 90.97 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 111.591 -2.55 . . . . 10.0 114.572 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -20.93 51.46 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 110.788 -2.915 . . . . 10.0 113.725 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -76.63 -42.29 42.78 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 110.809 -2.905 . . . . 10.0 109.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.416 ' HA ' HG11 ' A' ' 124' ' ' VAL . 18.3 t80 -65.13 -24.11 67.32 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 126.636 2.46 . . . . 10.0 111.803 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 25' ' ' VAL . 28.6 mt -74.07 -42.57 59.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 113.203 -1.817 . . . . 10.0 112.264 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -53.47 -23.92 11.53 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.477 1.911 . . . . 10.0 115.452 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -75.89 -22.18 56.4 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.149 -0.932 . . . . 10.0 113.18 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.16 22.78 15.14 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.214 -1.812 . . . . 10.0 112.859 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 48.66 57.76 5.98 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.751 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.774 HG21 HD22 ' A' ' 20' ' ' LEU . 1.2 t -90.08 143.82 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.091 0 CA-C-N 113.116 -1.857 . . . . 10.0 108.913 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -68.63 137.1 53.94 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.795 -2.457 . . . . 10.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -20.73 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.903 -2.408 . . . . 10.0 114.996 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.66 -31.25 41.44 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 124.739 1.275 . . . . 10.0 110.141 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 9.8 tp -74.32 -23.83 59.11 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.275 -2.693 . . . . 10.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -68.95 -32.8 72.66 Favored 'General case' 0 C--O 1.211 -0.922 1 O-C-N 129.215 4.072 . . . . 10.0 111.254 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -41.16 58.34 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 109.766 -3.379 . . . . 10.0 113.711 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.42 -29.69 18.96 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.098 0 O-C-N 127.142 2.776 . . . . 10.0 109.176 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 29' ' ' LEU . . . -68.24 -26.83 65.89 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 111.992 -2.367 . . . . 10.0 113.03 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.53 -25.99 68.32 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 112.859 -1.973 . . . . 10.0 113.96 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -112.24 11.26 20.18 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 109.086 -3.688 . . . . 10.0 110.711 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 38' ' ' PRO . 2.0 tt -108.48 101.25 10.43 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 127.937 3.273 . . . . 10.0 112.266 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -143.36 75.64 16.7 Favored Pre-proline 0 CA--C 1.507 -0.683 0 O-C-N 128.653 3.721 . . . . 10.0 108.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' HD23 ' A' ' 36' ' ' LEU . 5.3 Cg_exo -62.8 166.67 13.4 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 124.164 3.243 . . . . 10.0 114.357 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.0 152.15 20.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 111.826 -2.443 . . . . 10.0 109.081 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HB3' HD11 ' A' ' 42' ' ' ILE . 23.4 mttt -123.34 127.94 49.21 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 125.449 2.547 . . . . 10.0 111.262 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -115.18 104.08 11.49 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 111.026 -2.806 . . . . 10.0 109.894 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 40' ' ' LYS . 4.8 mp -104.99 146.5 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 O-C-N 124.976 1.422 . . . . 10.0 112.1 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.7 t -133.24 85.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 112.324 -2.216 . . . . 10.0 113.439 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 126.37 29.18 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 111.668 -2.514 . . . . 10.0 110.215 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.62 67.15 0.69 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 110.278 -3.147 . . . . 10.0 110.983 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.04 -115.58 4.93 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 111.533 -2.576 . . . . 10.0 111.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.94 -6.26 48.91 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.206 1.955 . . . . 10.0 112.519 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 129.3 43.03 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 112.018 -2.355 . . . . 10.0 109.611 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.11 66.1 1.55 Allowed 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 126.698 3.142 . . . . 10.0 109.101 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.434 HG21 ' HE ' ' A' ' 52' ' ' ARG . 22.1 mt -52.67 102.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.516 0 CA-C-N 110.197 -3.183 . . . . 10.0 113.086 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.6 mt -97.59 122.53 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 O-C-N 127.835 3.209 . . . . 10.0 108.633 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HE ' HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -114.88 99.61 7.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 111.858 -2.428 . . . . 10.0 115.158 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.09 111.15 22.69 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 109.869 -3.332 . . . . 10.0 107.649 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.89 116.02 31.2 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 111.934 -2.394 . . . . 10.0 114.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.3 137.42 27.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 124.718 2.199 . . . . 10.0 108.224 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.2 m -55.98 -23.46 32.61 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.702 -2.044 . . . . 10.0 112.433 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -81.37 -48.29 12.14 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 112.717 -2.038 . . . . 10.0 110.668 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 59' ' ' ASN . 14.0 ttm-85 -164.32 148.26 9.58 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 114.088 -1.414 . . . . 10.0 111.651 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.6 m120 -117.92 126.03 51.59 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 122.194 0.997 . . . . 10.0 109.463 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -115.42 82.7 1.8 Allowed 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 113.708 -1.587 . . . . 10.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.5 mm -80.7 124.36 38.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 112.8 -2.0 . . . . 10.0 109.822 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.7 mtp -121.55 136.5 54.95 Favored 'General case' 0 C--O 1.207 -1.133 0 O-C-N 128.695 3.747 . . . . 10.0 111.4 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -113.73 54.92 0.73 Allowed 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 110.818 -2.901 . . . . 10.0 107.994 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -35.52 137.16 0.2 Allowed 'General case' 0 CA--C 1.503 -0.842 0 O-C-N 128.611 3.695 . . . . 10.0 113.247 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -138.73 92.25 2.6 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 125.402 2.525 . . . . 10.0 108.252 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.426 HG22 HG12 ' A' ' 86' ' ' VAL . 55.2 t -58.04 133.42 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.985 0 CA-C-N 110.342 -3.117 . . . . 10.0 111.737 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.06 -6.1 83.91 Favored Glycine 0 C--O 1.214 -1.15 0 O-C-N 125.374 1.671 . . . . 10.0 112.291 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -114.93 118.68 34.14 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.713 0.768 . . . . 10.0 110.082 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 152.43 1.15 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 113.85 -1.523 . . . . 10.0 114.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.4 161.65 19.62 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 111.176 -2.738 . . . . 10.0 113.502 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -134.22 56.58 1.84 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 110.856 -2.884 . . . . 10.0 108.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 143.79 9.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 110.668 -2.969 . . . . 10.0 113.899 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.4 ' CB ' ' HD2' ' A' ' 81' ' ' LYS . 4.5 p-10 -142.78 114.43 8.03 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.574 -2.557 . . . . 10.0 109.119 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.414 HD12 ' HD3' ' A' ' 80' ' ' ARG . 41.3 mt -106.11 57.89 0.66 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.495 -2.593 . . . . 10.0 113.369 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.563 HG22 ' OD1' ' A' ' 79' ' ' ASP . 72.0 p -82.33 0.44 41.68 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 127.343 2.902 . . . . 10.0 111.681 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.52 -3.43 53.17 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 114.269 -1.332 . . . . 10.0 110.386 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.443 HG13 ' H22' ' A' ' 135' ' ' RTL . 2.6 mp -127.05 -65.39 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 126.034 1.667 . . . . 10.0 113.401 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.47 12.28 1.93 Allowed 'General case' 0 C--N 1.34 0.184 0 O-C-N 125.15 1.531 . . . . 10.0 113.98 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' OD1' HG22 ' A' ' 75' ' ' THR . 17.4 t70 43.0 97.12 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 126.494 2.371 . . . . 10.0 114.346 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.414 ' HD3' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -128.31 -43.79 1.44 Allowed 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.681 1.363 . . . . 10.0 114.681 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HD2' ' CB ' ' A' ' 73' ' ' ASP . 1.1 mptm? 61.2 101.87 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.854 1.788 . . . . 10.0 113.494 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.7 m -140.43 -178.63 5.58 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.553 -1.203 . . . . 10.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.99 143.67 39.64 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 112.291 -2.231 . . . . 10.0 110.811 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.512 HG23 ' OE1' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -133.96 168.31 19.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 123.345 1.545 . . . . 10.0 112.698 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.492 ' H ' HG22 ' A' ' 84' ' ' THR . 0.2 OUTLIER -146.92 125.17 12.21 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 111.311 -2.677 . . . . 10.0 109.662 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.582 HG21 ' CE2' ' A' ' 64' ' ' PHE . 49.1 t -109.03 101.03 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 123.812 1.767 . . . . 10.0 111.596 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.1 -171.23 1.99 Allowed 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 112.83 -1.987 . . . . 10.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 5.3 p-90 -129.3 121.96 28.59 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.238 -2.255 . . . . 10.0 113.045 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.99 103.6 8.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 112.902 -1.953 . . . . 10.0 109.54 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.8 -103.39 1.98 Allowed Glycine 0 C--O 1.22 -0.729 0 O-C-N 127.184 2.802 . . . . 10.0 110.562 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.51 25.17 2.65 Favored 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 128.731 3.254 . . . . 10.0 110.336 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -132.16 122.63 25.62 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 110.222 -3.172 . . . . 10.0 113.011 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.2 102.05 0.99 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-N 111.601 -2.545 . . . . 10.0 108.667 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -102.81 132.56 48.9 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 113.431 -1.713 . . . . 10.0 109.676 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.69 98.09 4.1 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 124.972 2.32 . . . . 10.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.89 162.73 3.03 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 110.39 -3.095 . . . . 10.0 109.855 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.539 ' HB2' ' HD3' ' A' ' 104' ' ' ARG . 2.8 mm100 -124.89 157.63 35.49 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 114.551 -1.204 . . . . 10.0 111.737 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.51 67.31 1.44 Allowed 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 124.681 2.181 . . . . 10.0 112.901 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.88 -155.38 31.5 Favored Glycine 0 C--N 1.347 1.186 0 O-C-N 120.089 -1.632 . . . . 10.0 112.629 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.58 -51.95 5.27 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.929 -2.135 . . . . 10.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.15 177.11 8.1 Favored 'General case' 0 C--O 1.205 -1.283 0 O-C-N 126.469 2.356 . . . . 10.0 111.046 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.889 ' CD ' ' HB1' ' A' ' 121' ' ' ALA . 0.0 OUTLIER 70.78 136.4 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.128 1 O-C-N 131.119 5.262 . . . . 10.0 110.904 178.98 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.04 61.53 0.99 Allowed Glycine 0 CA--C 1.504 -0.595 0 CA-C-N 115.475 -0.784 . . . . 10.0 112.829 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.583 ' HG3' ' HG2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -71.47 130.14 40.54 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 124.688 2.185 . . . . 10.0 110.812 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.75 114.79 0.31 Allowed Glycine 0 N--CA 1.469 0.867 0 CA-C-N 111.704 -2.498 . . . . 10.0 109.692 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -110.77 152.6 26.42 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 126.734 2.079 . . . . 10.0 112.991 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.23 132.62 43.27 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 127.261 2.851 . . . . 10.0 112.391 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -103.12 108.78 20.1 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.171 2.795 . . . . 10.0 110.073 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -133.47 136.82 45.37 Favored 'General case' 0 C--O 1.21 -0.992 1 O-C-N 130.078 4.611 . . . . 10.0 109.928 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.606 HD11 ' CE1' ' A' ' 4' ' ' PHE . 2.6 mp -111.32 135.39 50.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 O-C-N 126.417 2.323 . . . . 10.0 114.108 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -106.64 47.98 0.86 Allowed 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 126.577 2.423 . . . . 10.0 113.751 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.405 ' H ' HG22 ' A' ' 110' ' ' ILE . . . 57.14 88.52 0.02 OUTLIER Glycine 0 C--N 1.349 1.303 0 CA-C-N 111.783 -2.462 . . . . 10.0 113.612 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 t0 70.41 36.32 1.77 Allowed 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 110.801 -2.7 . . . . 10.0 113.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -160.18 102.2 1.42 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 128.207 3.442 . . . . 10.0 109.435 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.509 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 7.0 tt -74.51 99.84 3.7 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 111.809 -2.45 . . . . 10.0 109.497 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -99.64 92.11 5.19 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 123.582 1.658 . . . . 10.0 114.754 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.505 HD23 ' SD ' ' A' ' 119' ' ' MET . 13.8 tp -85.24 133.28 34.18 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 113.986 -1.461 . . . . 10.0 107.546 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -111.72 111.71 22.87 Favored 'General case' 0 C--O 1.212 -0.883 0 O-C-N 128.533 3.646 . . . . 10.0 110.485 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.505 ' SD ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -115.3 149.95 37.03 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 124.963 1.415 . . . . 10.0 111.166 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 24.2 mtm-85 -147.23 152.24 38.0 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 112.436 -2.165 . . . . 10.0 111.603 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.889 ' HB1' ' CD ' ' A' ' 102' ' ' GLU . . . 173.41 140.1 0.04 OUTLIER 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.979 -1.464 . . . . 10.0 110.28 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 45.6 36.24 2.49 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 127.777 3.173 . . . . 10.0 113.439 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.76 24.48 76.93 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-N 111.965 -2.38 . . . . 10.0 112.529 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.615 HG21 ' HB2' ' A' ' 22' ' ' ALA . 3.3 t -114.85 115.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 O-C-N 127.0 2.236 . . . . 10.0 109.798 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.5 m -103.44 132.17 49.92 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 123.938 1.828 . . . . 10.0 113.656 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 147.04 20.49 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 126.229 2.919 . . . . 10.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.29 142.58 35.69 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 110.221 -3.172 . . . . 10.0 111.26 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -99.47 126.32 45.37 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 113.687 -1.597 . . . . 10.0 109.629 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.21 112.09 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 111.82 -2.445 . . . . 10.0 108.41 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -122.62 173.89 7.43 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 113.04 -1.891 . . . . 10.0 109.516 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.37 145.49 31.98 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 127.977 3.298 . . . . 10.0 113.376 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 12.2 tttt -96.55 138.32 34.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 111.399 -2.637 . . . . 10.0 110.027 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.84 -50.3 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 113.88 -1.509 . . . . 10.0 112.994 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.383 0 CA-C-N 111.215 -2.72 . . . . 10.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.614 ' C18' HD21 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.489 1.225 0 CA-C-O 122.581 0.992 . . . . 10.0 112.873 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.37 105.62 18.85 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 CA-C-N 110.642 -2.981 . . . . 10.0 109.82 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.44 135.31 54.65 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 124.247 1.975 . . . . 10.0 110.742 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' HB3' HG21 ' A' ' 42' ' ' ILE . 10.0 m-85 -91.17 -32.26 15.88 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 112.977 -1.919 . . . . 10.0 110.046 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -51.24 88.83 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 111.398 -2.637 . . . . 10.0 111.74 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.22 167.58 39.29 Favored Glycine 0 N--CA 1.47 0.92 0 CA-C-O 124.776 2.32 . . . . 10.0 113.131 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.45 109.37 20.95 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-N 111.174 -2.513 . . . . 10.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.6 ' CZ3' HD13 ' A' ' 42' ' ' ILE . 2.7 m0 -103.16 108.61 19.87 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 113.298 -1.774 . . . . 10.0 111.866 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 131' ' ' LYS . 5.4 ptmt -106.55 141.29 38.08 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 125.162 1.538 . . . . 10.0 107.043 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.82 -178.47 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.168 0 CA-C-O 126.9 3.238 . . . . 10.0 114.991 -179.223 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' HG2' ' A' ' 10' ' ' MET . 0.4 OUTLIER -158.17 -61.78 0.08 Allowed 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 108.994 -3.73 . . . . 10.0 109.051 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -179.09 148.06 0.37 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 127.283 2.864 . . . . 10.0 111.361 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' HB3' ' HG2' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -126.9 150.75 49.15 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 110.181 -3.19 . . . . 10.0 112.217 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -121.98 151.67 40.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 110.645 -2.98 . . . . 10.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.01 24.03 7.34 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 112.658 -2.065 . . . . 10.0 110.966 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -75.92 -35.99 59.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.801 -1.545 . . . . 10.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.24 -36.67 61.26 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 125.183 1.552 . . . . 10.0 112.39 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -75.62 -28.88 59.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 113.673 -1.603 . . . . 10.0 112.055 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 10.9 t80 -68.75 -28.45 66.81 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 127.357 2.91 . . . . 10.0 113.848 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 20' ' ' LEU . 72.9 mt -73.99 -38.9 63.98 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 112.107 -2.315 . . . . 10.0 109.929 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -65.47 -24.89 67.27 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 127.112 2.757 . . . . 10.0 113.956 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.68 70.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 O-C-N 126.031 2.082 . . . . 10.0 114.021 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 10.6 mt -98.68 9.27 43.68 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 126.742 2.526 . . . . 10.0 109.628 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.9 75.54 0.21 Allowed 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 126.57 2.419 . . . . 10.0 109.92 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.66 144.4 24.48 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 CA-C-N 111.485 -2.598 . . . . 10.0 111.534 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -43.3 146.28 0.48 Allowed 'General case' 0 C--N 1.345 0.37 0 O-C-N 128.167 3.417 . . . . 10.0 113.015 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' NH2' ' A' ' 30' ' ' ARG . 4.3 p -75.99 -20.22 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 123.255 1.502 . . . . 10.0 110.4 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.83 59.9 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 123.169 1.462 . . . . 10.0 109.63 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tp -79.83 -28.63 40.11 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 113.744 -1.571 . . . . 10.0 112.815 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' NH2' HG23 ' A' ' 27' ' ' VAL . 11.0 ttm180 -75.14 -33.93 61.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 110.693 -2.958 . . . . 10.0 109.187 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -72.53 -39.45 67.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 128.186 3.429 . . . . 10.0 111.752 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.678 ' O ' HD23 ' A' ' 36' ' ' LEU . 23.7 mt -73.24 -44.6 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 CA-C-N 109.53 -3.486 . . . . 10.0 109.725 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.66 67.98 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-O 123.433 1.587 . . . . 10.0 113.746 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -33.87 69.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 123.897 1.808 . . . . 10.0 113.027 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.33 11.79 35.35 Favored 'General case' 0 C--O 1.209 -1.058 0 CA-C-N 113.378 -1.737 . . . . 10.0 112.966 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -82.85 -74.42 0.36 Allowed 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 125.977 2.048 . . . . 10.0 114.484 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.37 71.18 1.48 Allowed Pre-proline 0 CA--C 1.51 -0.569 0 C-N-CA 118.188 -1.405 . . . . 10.0 112.255 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -72.88 -177.79 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.82 1.68 . . . . 10.0 113.617 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.55 112.21 7.12 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 123.945 1.831 . . . . 10.0 109.125 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.23 148.84 24.17 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 110.742 -2.936 . . . . 10.0 113.902 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -136.58 102.36 4.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 127.581 3.051 . . . . 10.0 109.438 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.6 HD13 ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mp -96.32 135.4 30.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 113.153 -1.84 . . . . 10.0 110.848 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -122.63 101.01 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 O-C-N 126.695 2.497 . . . . 10.0 113.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -82.94 122.05 27.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 111.583 -2.553 . . . . 10.0 110.698 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -120.51 16.66 12.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.209 -0.932 . . . . 10.0 112.062 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.09 -82.56 0.35 Allowed Glycine 0 N--CA 1.467 0.734 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.2 -52.01 4.89 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 110.81 -2.695 . . . . 10.0 109.646 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.97 127.55 33.19 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 111.896 -2.411 . . . . 10.0 110.452 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.77 59.94 1.28 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 110.784 -2.916 . . . . 10.0 109.261 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 62' ' ' MET . 6.1 mt -43.59 129.4 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-N 109.549 -3.478 . . . . 10.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 ' HB2' ' A' ' 64' ' ' PHE . 2.6 mt -116.49 127.81 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 112.267 -2.242 . . . . 10.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.39 144.31 50.87 Favored 'General case' 0 C--O 1.208 -1.086 0 O-C-N 124.521 1.138 . . . . 10.0 111.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.525 ' C ' HD23 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -137.91 120.53 16.19 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 110.283 -3.144 . . . . 10.0 111.46 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD23 ' C ' ' A' ' 53' ' ' THR . 1.2 mt -111.26 76.71 0.99 Allowed 'General case' 0 C--O 1.216 -0.66 0 O-C-N 128.994 3.934 . . . . 10.0 107.726 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 8.8 p -82.33 -4.36 57.1 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 110.904 -2.862 . . . . 10.0 112.788 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 m 62.01 21.64 12.5 Favored 'General case' 0 C--O 1.209 -1.048 0 O-C-N 125.912 2.008 . . . . 10.0 113.287 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 36' ' ' LEU . 2.8 m-85 -141.66 -68.21 0.39 Allowed 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 112.143 -2.299 . . . . 10.0 109.681 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HB3' H173 ' A' ' 135' ' ' RTL . 54.1 ttm-85 -129.78 88.4 2.67 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 112.829 -1.987 . . . . 10.0 112.015 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -54.07 106.59 0.2 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 111.23 -2.714 . . . . 10.0 110.492 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -106.59 113.76 27.45 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 123.162 1.458 . . . . 10.0 113.882 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 61' ' ' ILE . 5.3 mp -120.97 135.69 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 113.245 -1.798 . . . . 10.0 110.374 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 50' ' ' ILE . 8.2 mmt -146.47 165.04 30.61 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 110.08 -3.236 . . . . 10.0 112.016 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -127.14 70.79 1.3 Allowed 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.714 1.259 . . . . 10.0 110.006 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.452 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -65.45 104.92 1.06 Allowed 'General case' 0 C--O 1.221 -0.418 0 O-C-N 128.732 3.77 . . . . 10.0 110.526 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 62.8 mt-30 -96.66 146.21 25.06 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.906 -1.952 . . . . 10.0 109.499 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.78 132.83 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 N-CA-C 113.944 1.09 . . . . 10.0 113.944 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.92 43.7 5.45 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.272 -1.786 . . . . 10.0 109.711 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 1.2 tpmp? -111.08 -48.62 3.09 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 114.552 1.315 . . . . 10.0 114.552 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 86.99 132.68 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.91 0 O-C-N 127.424 2.953 . . . . 10.0 111.914 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 6.6 p90 -161.26 168.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 124.277 1.989 . . . . 10.0 112.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -75.3 145.91 41.42 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.135 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.02 107.65 4.84 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 110.632 -2.985 . . . . 10.0 112.306 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 114.42 23.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 112.134 -2.303 . . . . 10.0 110.315 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 74' ' ' LEU . 2.3 mm? -96.01 53.22 1.36 Allowed 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 111.661 -2.518 . . . . 10.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.4 p -70.86 -3.63 20.08 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 113.612 -1.631 . . . . 10.0 114.793 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.52 1.09 32.53 Favored Glycine 0 N--CA 1.471 1.014 0 C-N-CA 119.693 -1.241 . . . . 10.0 113.165 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.6 mt -117.96 -70.43 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 112.329 -1.936 . . . . 10.0 110.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -150.03 27.41 0.78 Allowed 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 114.153 1.168 . . . . 10.0 114.153 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 35.07 92.87 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.902 0 O-C-N 128.795 3.81 . . . . 10.0 114.64 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -129.66 100.14 5.4 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 109.533 -3.485 . . . . 10.0 110.195 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 123.38 33.46 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 116.667 -2.013 . . . . 10.0 108.811 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -158.09 171.5 20.11 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 128.528 3.643 . . . . 10.0 111.686 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.402 ' HB2' ' HD3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -107.73 126.42 52.59 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 128.533 3.645 . . . . 10.0 107.359 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 97' ' ' GLN . 8.6 m -109.8 151.66 26.7 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 125.911 2.007 . . . . 10.0 114.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.14 134.61 28.03 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 110.147 -3.206 . . . . 10.0 107.679 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.26 109.21 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 O-C-N 127.329 2.893 . . . . 10.0 114.224 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 t -98.17 141.96 30.44 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.282 0.989 . . . . 10.0 111.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.483 ' O ' ' CG ' ' A' ' 88' ' ' TRP . 0.0 OUTLIER -107.31 25.88 10.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.826 -1.079 . . . . 10.0 113.905 -179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -2.06 -66.85 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 127.482 2.989 . . . . 10.0 115.951 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.66 -97.74 0.49 Allowed Glycine 0 C--O 1.214 -1.147 0 CA-C-O 124.334 2.074 . . . . 10.0 111.583 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -109.99 27.25 9.78 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 123.437 1.589 . . . . 10.0 113.631 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.75 -178.36 7.24 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 113.719 -1.582 . . . . 10.0 112.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.44 119.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 126.171 2.169 . . . . 10.0 112.57 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.14 102.51 8.19 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 123.827 1.775 . . . . 10.0 108.433 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.0 t -87.71 128.59 35.3 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 110.745 -2.934 . . . . 10.0 113.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.43 131.9 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.124 0 CA-C-N 113.198 -1.819 . . . . 10.0 112.664 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.508 ' HG2' HG23 ' A' ' 84' ' ' THR . 34.7 mt-30 -104.2 137.5 42.03 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 111.723 -2.489 . . . . 10.0 107.573 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 83' ' ' MET . 4.5 ptmt -93.61 51.54 1.59 Allowed 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 124.956 2.312 . . . . 10.0 114.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.46 158.74 15.46 Favored Glycine 0 C--O 1.219 -0.794 0 CA-C-N 112.171 -2.286 . . . . 10.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -51.91 158.59 1.0 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 118.081 -0.962 . . . . 10.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 105.88 136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 1 O-C-N 130.108 4.63 . . . . 10.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -97.16 132.24 43.13 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 112.04 -2.345 . . . . 10.0 110.035 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.07 1.79 Allowed Glycine 0 C--O 1.211 -1.34 0 N-CA-C 108.18 -1.968 . . . . 10.0 108.18 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -34.53 130.5 0.37 Allowed 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 129.165 3.509 . . . . 10.0 110.8 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.86 110.46 1.35 Allowed Glycine 0 C--O 1.213 -1.183 0 CA-C-N 112.723 -2.035 . . . . 10.0 109.409 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.732 ' CH2' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.58 177.8 0.19 Allowed 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 114.438 -0.881 . . . . 10.0 112.406 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m 179.92 129.21 0.09 Allowed 'General case' 0 C--O 1.22 -0.497 0 O-C-N 127.764 3.165 . . . . 10.0 110.079 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 109' ' ' TRP . 25.2 tt0 -139.03 147.01 41.52 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 111.479 -2.6 . . . . 10.0 114.377 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.425 ' N ' ' HG2' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -157.62 124.3 4.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 110.891 -2.868 . . . . 10.0 109.546 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.3 mt -84.3 151.23 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.162 0 CA-C-N 110.756 -2.929 . . . . 10.0 112.689 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.43 -64.14 1.31 Allowed 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 123.632 1.682 . . . . 10.0 112.855 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.16 -102.12 1.03 Allowed Glycine 0 CA--C 1.503 -0.717 0 N-CA-C 109.088 -1.605 . . . . 10.0 109.088 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -118.34 17.97 13.75 Favored 'General case' 0 CA--C 1.494 -1.19 0 CA-C-O 122.332 1.063 . . . . 10.0 109.738 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.49 109.88 11.41 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 111.944 -2.389 . . . . 10.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 116' ' ' HIS . 0.5 OUTLIER -78.03 119.11 21.01 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 125.894 1.996 . . . . 10.0 112.605 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.548 ' N ' HD23 ' A' ' 115' ' ' LEU . 16.5 t60 -116.48 152.7 33.5 Favored 'General case' 0 C--O 1.218 -0.593 0 O-C-N 129.008 3.943 . . . . 10.0 108.461 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.732 HD22 ' CH2' ' A' ' 106' ' ' TRP . 1.2 pp -156.3 149.31 24.15 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 111.123 -2.762 . . . . 10.0 109.24 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -125.85 79.29 1.82 Allowed 'General case' 0 CA--C 1.494 -1.19 0 CA-C-N 114.393 -1.276 . . . . 10.0 113.439 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.571 ' CG ' ' HB3' ' A' ' 126' ' ' CYS . 23.0 ptm -74.01 166.65 23.0 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 127.574 3.046 . . . . 10.0 108.787 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -144.97 153.12 41.18 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 111.728 -2.487 . . . . 10.0 108.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -166.57 103.09 0.59 Allowed 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 126.71 2.506 . . . . 10.0 113.441 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 76.25 26.06 0.97 Allowed 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 123.555 1.645 . . . . 10.0 113.81 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.55 -17.08 58.94 Favored Glycine 0 C--N 1.347 1.139 0 O-C-N 121.02 -1.05 . . . . 10.0 112.105 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 125' ' ' THR . 12.6 t -77.21 166.35 2.74 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.067 0 CA-C-N 111.216 -2.492 . . . . 10.0 108.658 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.511 ' N ' HG12 ' A' ' 124' ' ' VAL . 24.2 m -140.88 112.65 7.62 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 112.951 -1.932 . . . . 10.0 110.323 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.571 ' HB3' ' CG ' ' A' ' 119' ' ' MET . 2.2 t -98.19 142.03 30.37 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 125.55 2.595 . . . . 10.0 113.906 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -117.55 100.43 7.64 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.321 -2.112 . . . . 10.0 113.631 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HG2' ' HB3' ' A' ' 13' ' ' ASN . 67.6 mt-30 -103.11 117.82 35.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.6 t -113.06 116.42 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.903 0 O-C-N 125.599 1.812 . . . . 10.0 114.321 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' MET . 8.7 m-85 -114.45 141.25 47.92 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.171 1.462 . . . . 10.0 109.497 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 tptt -99.61 118.41 36.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 125.528 2.585 . . . . 10.0 112.554 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 133' ' ' VAL . 4.6 ttmt -65.93 133.56 51.15 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 124.84 2.257 . . . . 10.0 108.732 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 132' ' ' LYS . 90.3 t -104.39 -38.43 4.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 CA-C-N 110.927 -2.851 . . . . 10.0 114.396 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--O 1.261 1.68 0 CA-C-N 114.589 -1.187 . . . . 10.0 109.277 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.702 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 N--CA 1.506 2.229 0 N-CA-C 108.453 -1.403 . . . . 10.0 108.453 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -135.85 -31.77 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 O-C-N 127.266 2.854 . . . . 10.0 114.838 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.08 110.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.198 0.999 . . . . 10.0 109.884 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -72.82 -12.29 60.93 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-N 113.466 -1.697 . . . . 10.0 112.708 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.42 126.87 14.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 112.59 -2.096 . . . . 10.0 113.717 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.7 -171.59 34.28 Favored Glycine 0 C--O 1.209 -1.464 0 CA-C-O 124.924 2.402 . . . . 10.0 109.772 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CE1' ' HG2' ' A' ' 41' ' ' GLU . 1.2 m-85 -117.43 87.3 2.68 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 109.914 -3.143 . . . . 10.0 109.061 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.632 ' CD1' HD12 ' A' ' 42' ' ' ILE . 1.7 m95 -86.6 146.44 26.34 Favored 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 127.108 3.337 . . . . 10.0 113.379 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -154.1 136.59 15.06 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 109.254 -3.612 . . . . 10.0 110.96 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.7 ttm -78.28 132.04 37.33 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 111.818 -2.446 . . . . 10.0 111.396 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 131' ' ' LYS . 7.0 mt -98.04 -45.69 6.16 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 110.022 -3.263 . . . . 10.0 111.213 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 p -148.68 164.21 35.02 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-N 109.63 -3.441 . . . . 10.0 109.866 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -145.38 171.95 13.87 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 123.755 1.74 . . . . 10.0 109.641 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.71 140.24 18.81 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 123.817 1.77 . . . . 10.0 109.506 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 59.31 26.78 15.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 110.983 -2.826 . . . . 10.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.64 ' HE1' ' HB1' ' A' ' 33' ' ' ALA . 27.2 t80 -69.01 -32.66 72.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 124.644 2.164 . . . . 10.0 113.061 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -75.22 -33.37 61.36 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.425 -2.17 . . . . 10.0 112.877 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.45 -26.91 41.65 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 112.553 -2.112 . . . . 10.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -76.44 -25.26 54.22 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 123.7 1.714 . . . . 10.0 113.918 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 30' ' ' ARG . 68.9 mt -76.67 -35.75 57.74 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 112.827 -1.988 . . . . 10.0 110.28 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -76.11 -20.12 57.92 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 127.411 2.944 . . . . 10.0 113.249 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.33 67.48 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 127.768 3.167 . . . . 10.0 114.855 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 23' ' ' LEU . 68.3 mt -105.32 13.87 29.76 Favored 'General case' 0 C--O 1.21 -0.979 0 O-C-N 126.422 2.326 . . . . 10.0 112.99 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 49.26 35.95 8.48 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 123.887 1.803 . . . . 10.0 111.702 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.604 HG11 HD22 ' A' ' 29' ' ' LEU . 23.9 t -50.46 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 CA-C-N 113.5 -1.682 . . . . 10.0 111.379 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' N ' HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER 174.19 148.87 0.08 Allowed 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 125.049 1.34 . . . . 10.0 110.351 179.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 t -76.37 -31.52 20.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -77.88 -23.58 48.76 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 111.211 -2.722 . . . . 10.0 113.248 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD22 HG11 ' A' ' 25' ' ' VAL . 3.8 tt -78.12 -33.89 50.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 123.522 1.629 . . . . 10.0 108.259 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HA ' HD13 ' A' ' 20' ' ' LEU . 4.5 ttp180 -65.9 -34.81 78.99 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 111.967 -2.378 . . . . 10.0 112.288 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 35' ' ' LEU . 4.1 mttp -65.7 -41.8 91.91 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 113.205 -1.816 . . . . 10.0 112.259 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.3 mp -76.87 -38.82 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 CA-C-N 110.259 -3.155 . . . . 10.0 112.397 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.64 ' HB1' ' HE1' ' A' ' 16' ' ' PHE . . . -58.13 -23.0 53.43 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 120.324 -1.485 . . . . 10.0 114.274 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -72.32 -29.88 64.25 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-O 123.855 1.788 . . . . 10.0 114.555 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 31' ' ' LYS . 1.2 mp -100.06 18.81 17.61 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 111.67 -2.514 . . . . 10.0 113.344 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.711 HD12 ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -145.49 135.27 23.49 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 126.486 3.041 . . . . 10.0 113.056 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -134.07 91.27 24.2 Favored Pre-proline 0 CA--C 1.51 -0.582 0 CA-C-N 111.213 -2.721 . . . . 10.0 108.273 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HD3' HD12 ' A' ' 36' ' ' LEU . 21.8 Cg_exo -56.58 179.17 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.075 0 O-C-N 127.425 3.329 . . . . 10.0 114.614 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.11 158.77 43.71 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 111.204 -2.725 . . . . 10.0 108.558 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.608 ' CG ' ' HB2' ' A' ' 8' ' ' TRP . 1.7 ptpp? -137.41 160.63 38.55 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.073 -2.785 . . . . 10.0 115.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 23.0 mt-10 -136.36 97.79 3.67 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 111.292 -2.686 . . . . 10.0 111.964 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.632 HD12 ' CD1' ' A' ' 8' ' ' TRP . 19.8 mt -91.78 122.8 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 O-C-N 128.414 3.571 . . . . 10.0 111.452 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -126.92 91.65 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.868 0 CA-C-N 112.886 -1.961 . . . . 10.0 110.747 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.36 160.04 7.19 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 127.687 3.117 . . . . 10.0 110.078 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -167.01 74.81 0.15 Allowed 'General case' 0 CA--C 1.498 -1.031 0 O-C-N 126.652 2.47 . . . . 10.0 112.971 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.28 -100.11 0.5 Allowed Glycine 0 C--O 1.21 -1.371 0 CA-C-O 123.945 1.859 . . . . 10.0 113.396 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.71 -35.0 16.98 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 111.96 -2.12 . . . . 10.0 110.574 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -82.07 135.41 35.33 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 113.054 -1.885 . . . . 10.0 113.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.0 ttm -122.5 108.22 12.92 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 127.087 2.742 . . . . 10.0 112.011 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.8 mt -106.04 125.43 61.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 112.145 -2.298 . . . . 10.0 113.092 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.92 116.36 44.46 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 113.039 -1.891 . . . . 10.0 110.017 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD2' HG12 ' A' ' 61' ' ' ILE . 2.4 mmm180 -97.12 171.07 8.69 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 124.201 1.953 . . . . 10.0 110.53 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -151.88 108.38 3.46 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 110.677 -2.965 . . . . 10.0 109.359 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.9 mt -98.13 104.22 16.23 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 110.606 -2.997 . . . . 10.0 113.547 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.89 119.56 13.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.176 -1.374 . . . . 10.0 109.11 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.1 p -55.01 -21.9 13.54 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 127.438 2.961 . . . . 10.0 114.86 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CE1' HG21 ' A' ' 32' ' ' ILE . 2.6 t80 -74.53 -34.54 63.01 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 125.712 2.673 . . . . 10.0 112.1 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 172.81 121.74 0.02 OUTLIER 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 111.537 -2.574 . . . . 10.0 110.773 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -86.38 132.21 34.01 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.386 -2.188 . . . . 10.0 112.625 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.483 ' CE2' ' CD1' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -100.31 -138.08 0.32 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 115.213 -2.327 . . . . 10.0 106.176 179.216 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' HD2' ' A' ' 52' ' ' ARG . 21.8 mt 127.12 139.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 1 O-C-N 129.158 4.036 . . . . 10.0 112.447 178.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.8 mtt -131.51 148.57 52.64 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 125.122 2.391 . . . . 10.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -119.53 32.52 6.04 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 112.598 -2.092 . . . . 10.0 110.94 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.497 ' HZ ' HG21 ' A' ' 84' ' ' THR . 0.2 OUTLIER -40.36 133.17 1.9 Allowed 'General case' 0 C--O 1.216 -0.673 0 O-C-N 126.798 2.561 . . . . 10.0 114.553 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 34.3 mt-30 -112.95 150.15 32.25 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 111.568 -2.56 . . . . 10.0 108.785 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -99.62 131.09 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 O-C-N 124.108 0.88 . . . . 10.0 111.265 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.59 -3.59 86.91 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-O 124.138 1.966 . . . . 10.0 112.448 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 65' ' ' GLN . 6.5 mmtm -103.19 157.28 17.11 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 112.569 -1.815 . . . . 10.0 109.194 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -131.72 109.6 10.28 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 124.272 1.987 . . . . 10.0 112.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -135.36 162.91 31.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.85 -2.886 . . . . 10.0 114.132 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.53 163.45 18.62 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 126.146 2.154 . . . . 10.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -141.11 102.78 4.32 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 122.549 1.166 . . . . 10.0 113.572 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.8 108.08 19.32 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 111.545 -2.571 . . . . 10.0 108.308 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.65 1.35 49.65 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.727 -2.033 . . . . 10.0 113.72 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.6 p -40.4 107.89 0.08 Allowed 'General case' 0 CA--C 1.495 -1.158 0 O-C-N 126.685 2.49 . . . . 10.0 115.205 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.29 -11.26 7.65 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.018 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.483 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 15.1 mt -112.5 -66.78 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.575 0 CA-C-N 111.563 -2.319 . . . . 10.0 111.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.03 11.35 2.85 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 114.496 -1.229 . . . . 10.0 114.083 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 50.35 73.09 0.29 Allowed 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 124.467 2.079 . . . . 10.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -142.32 150.84 41.33 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 110.472 -3.058 . . . . 10.0 108.601 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmm -138.11 125.84 22.33 Favored 'General case' 0 CA--C 1.506 -0.721 0 O-C-N 128.783 3.802 . . . . 10.0 108.906 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 p -156.07 163.76 39.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 125.57 2.605 . . . . 10.0 112.709 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.0 mtm -92.92 115.16 27.86 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 109.434 -3.53 . . . . 10.0 108.697 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.497 HG21 ' HZ ' ' A' ' 64' ' ' PHE . 3.3 m -106.04 148.65 27.51 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 125.715 1.885 . . . . 10.0 115.197 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.96 134.75 17.69 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 110.286 -3.143 . . . . 10.0 113.314 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.0 t -113.96 138.17 44.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-O 125.335 2.493 . . . . 10.0 109.16 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -139.01 161.77 36.56 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 110.672 -2.967 . . . . 10.0 112.549 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -94.06 157.94 15.85 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.249 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -154.95 46.63 0.53 Allowed 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 126.997 2.686 . . . . 10.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.55 -91.82 1.74 Allowed Glycine 0 C--O 1.215 -1.09 0 CA-C-N 113.54 -1.664 . . . . 10.0 111.324 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.81 -51.6 3.03 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 128.279 2.988 . . . . 10.0 111.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.622 ' HD3' HG22 ' A' ' 107' ' ' THR . 6.9 ttmt -73.42 133.54 43.76 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.002 -1.908 . . . . 10.0 108.987 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.5 tt -111.01 114.59 28.01 Favored 'General case' 0 C--O 1.213 -0.855 0 O-C-N 128.269 3.48 . . . . 10.0 110.943 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 107' ' ' THR . 1.3 mt-30 -103.07 145.34 30.05 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 111.998 -2.365 . . . . 10.0 110.781 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 64.1 m -130.61 83.46 2.12 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 110.739 -2.937 . . . . 10.0 108.747 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.86 154.7 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.89 0 CA-C-N 113.343 -1.753 . . . . 10.0 113.685 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.47 158.52 26.08 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-O 122.29 1.043 . . . . 10.0 109.18 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -127.3 46.22 2.57 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.367 -2.197 . . . . 10.0 113.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -91.73 -163.89 38.55 Favored Glycine 0 CA--C 1.494 -1.279 0 CA-C-N 111.615 -2.539 . . . . 10.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' C ' ' HG2' ' A' ' 101' ' ' LYS . 45.0 mm-40 -99.68 146.46 26.48 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.358 -0.921 . . . . 10.0 113.026 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG2' ' C ' ' A' ' 100' ' ' GLU . 2.4 mmtt 87.74 176.72 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.508 1 O-C-N 130.013 4.571 . . . . 10.0 108.598 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.07 171.94 13.62 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 124.093 0.87 . . . . 10.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.6 -91.96 1.7 Allowed Glycine 0 C--O 1.211 -1.292 0 O-C-N 127.444 2.965 . . . . 10.0 114.237 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 15.91 97.3 0.0 OUTLIER 'General case' 0 C--O 1.216 -0.662 1 O-C-N 130.088 4.052 . . . . 10.0 114.237 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.06 138.91 3.55 Favored Glycine 0 C--O 1.211 -1.309 0 CA-C-N 110.86 -2.882 . . . . 10.0 112.744 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -105.12 151.84 23.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 113.434 -1.383 . . . . 10.0 114.537 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.622 HG22 ' HD3' ' A' ' 92' ' ' LYS . 1.4 m -126.11 103.31 7.64 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 110.896 -2.865 . . . . 10.0 108.232 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 146.78 23.95 Favored 'General case' 0 CA--C 1.498 -1.042 0 O-C-N 125.851 1.969 . . . . 10.0 114.967 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -151.01 134.1 15.98 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 111.222 -2.717 . . . . 10.0 109.988 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mt -96.79 140.84 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-O 125.508 2.575 . . . . 10.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -137.75 178.68 6.92 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 111.495 -2.593 . . . . 10.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.72 102.59 0.06 OUTLIER Glycine 0 C--O 1.211 -1.283 0 CA-C-N 112.254 -2.248 . . . . 10.0 111.507 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.03 32.39 0.11 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.924 -2.138 . . . . 10.0 113.928 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -148.81 156.05 41.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 125.918 2.011 . . . . 10.0 110.367 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.515 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -114.54 117.99 32.49 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 113.256 -1.793 . . . . 10.0 112.829 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.24 129.22 42.44 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.46 1.6 . . . . 10.0 109.151 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.5 tp -135.98 105.03 5.91 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 112.079 -2.328 . . . . 10.0 112.973 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -95.85 70.87 2.96 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.003 -1.453 . . . . 10.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.46 ' CE ' H202 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -63.29 141.25 58.83 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 124.06 1.886 . . . . 10.0 109.466 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -144.73 112.35 6.19 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 110.26 -3.154 . . . . 10.0 111.496 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.02 131.32 34.82 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 113.002 -1.908 . . . . 10.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.86 22.75 10.57 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.023 -2.808 . . . . 10.0 110.271 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.7 41.29 24.43 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-O 124.761 2.312 . . . . 10.0 114.265 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.53 109.87 10.82 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 125.365 2.507 . . . . 10.0 111.367 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.2 m -81.21 130.65 35.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-N 109.752 -3.386 . . . . 10.0 113.439 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.8 t -126.53 142.34 51.57 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 111.395 -2.638 . . . . 10.0 109.178 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -136.55 114.47 11.34 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.054 1.407 . . . . 10.0 113.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.54 109.71 13.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 112.927 -1.942 . . . . 10.0 111.452 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.15 130.11 43.51 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-O 122.922 1.344 . . . . 10.0 113.174 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.515 ' CD2' ' HB3' ' A' ' 115' ' ' LEU . 3.8 m-30 -99.5 174.23 6.36 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 110.947 -2.842 . . . . 10.0 108.948 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.484 ' HB2' HD12 ' A' ' 11' ' ' LEU . 16.3 tptm -152.37 102.96 2.8 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.32 1.057 . . . . 10.0 110.413 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -52.47 122.08 8.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 111.279 -2.692 . . . . 10.0 114.24 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 131' ' ' LYS . 88.4 t -133.99 85.89 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 127.389 2.93 . . . . 10.0 107.694 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.1 t60 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 114.773 -2.537 . . . . 10.0 112.861 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.542 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo . . . . . 0 N--CA 1.488 1.188 0 CA-C-O 122.786 1.078 . . . . 10.0 113.153 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.533 ' HB ' HD12 ' A' ' 110' ' ' ILE . 23.7 m -149.49 151.16 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 CA-C-N 112.122 -2.308 . . . . 10.0 113.072 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -104.04 112.38 25.34 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 111.932 -2.395 . . . . 10.0 112.574 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.563 ' HZ ' HD22 ' A' ' 93' ' ' LEU . 16.7 m-85 -89.57 -28.88 19.28 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.27 -0.877 . . . . 10.0 111.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -55.55 125.74 22.32 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 127.026 2.703 . . . . 10.0 110.341 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.56 -176.1 29.3 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 113.345 -1.752 . . . . 10.0 113.993 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.82 105.41 12.66 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 113.085 -1.558 . . . . 10.0 109.738 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 42' ' ' ILE . 7.2 m0 -96.33 102.22 13.98 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 113.25 -1.796 . . . . 10.0 113.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -93.17 151.97 19.51 Favored 'General case' 0 C--O 1.208 -1.126 0 O-C-N 125.683 1.864 . . . . 10.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttp -87.99 151.72 22.57 Favored 'General case' 0 C--O 1.208 -1.124 0 C-N-CA 118.65 -1.22 . . . . 10.0 113.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.63 -59.63 1.99 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-N 112.571 -2.104 . . . . 10.0 113.418 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -124.51 144.9 49.85 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 111.954 -2.384 . . . . 10.0 113.564 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.3 121.2 44.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 127.447 2.967 . . . . 10.0 107.865 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.66 128.83 33.83 Favored 'General case' 0 CA--C 1.502 -0.9 0 O-C-N 125.027 1.455 . . . . 10.0 113.941 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.39 11.17 5.3 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-O 126.886 3.232 . . . . 10.0 114.263 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -55.79 -36.25 67.18 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 117.676 -3.14 . . . . 10.0 115.062 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.23 -40.43 67.77 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-N 113.158 -1.837 . . . . 10.0 111.918 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.46 -27.52 60.62 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.64 1.838 . . . . 10.0 111.566 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -76.8 -27.31 55.17 Favored 'General case' 0 C--O 1.214 -0.808 0 O-C-N 129.035 3.959 . . . . 10.0 113.13 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.697 HD21 H182 ' A' ' 135' ' ' RTL . 8.7 mt -75.04 -36.26 61.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 110.883 -2.871 . . . . 10.0 113.798 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -63.63 -31.97 73.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 111.039 -2.801 . . . . 10.0 114.338 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.77 64.62 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 111.242 -2.708 . . . . 10.0 113.838 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.67 20.52 18.72 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 125.647 2.641 . . . . 10.0 115.075 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.16 43.1 29.97 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 112.757 -2.02 . . . . 10.0 114.962 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 20' ' ' LEU . 53.0 t -88.25 126.83 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 C-N-CA 118.475 -1.29 . . . . 10.0 109.089 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -48.85 158.24 0.33 Allowed 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 125.113 2.387 . . . . 10.0 114.826 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.19 -21.38 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 CA-C-N 110.561 -3.018 . . . . 10.0 112.672 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.93 -54.14 6.65 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 111.699 -2.5 . . . . 10.0 111.437 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tp -63.86 -29.64 70.81 Favored 'General case' 0 C--O 1.222 -0.357 0 O-C-N 126.061 2.101 . . . . 10.0 114.068 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HG3' HD12 ' A' ' 20' ' ' LEU . 59.0 ttp85 -76.05 -23.04 55.06 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 110.043 -3.253 . . . . 10.0 111.822 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -32.2 62.96 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 110.973 -2.831 . . . . 10.0 109.3 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.535 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.0 mm -78.69 -30.88 15.12 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.993 0 O-C-N 126.306 2.254 . . . . 10.0 110.671 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -24.42 67.72 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 112.281 -2.236 . . . . 10.0 114.657 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.74 -20.75 58.08 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 117.306 -1.757 . . . . 10.0 113.614 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.2 mt -96.08 11.04 35.58 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 124.802 2.239 . . . . 10.0 112.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 129.2 55.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 110.637 -2.983 . . . . 10.0 114.149 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -146.28 60.78 6.52 Favored Pre-proline 0 CA--C 1.507 -0.705 0 CA-C-N 111.468 -2.605 . . . . 10.0 108.558 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 5.5 Cg_endo -66.38 168.63 15.73 Favored 'Trans proline' 0 CA--C 1.512 -0.592 0 O-C-N 126.445 2.813 . . . . 10.0 113.617 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.15 163.5 13.28 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 110.014 -3.266 . . . . 10.0 109.385 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -125.67 131.57 52.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 126.802 2.564 . . . . 10.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.39 118.36 33.64 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 111.502 -2.59 . . . . 10.0 108.697 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.646 HD12 ' CH2' ' A' ' 8' ' ' TRP . 17.0 mt -123.52 124.29 69.28 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 O-C-N 125.798 1.936 . . . . 10.0 111.255 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.81 68.43 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 127.149 2.781 . . . . 10.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 4' ' ' PHE . 4.6 tt0 -50.73 121.27 5.63 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 125.864 1.978 . . . . 10.0 112.92 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -120.93 86.51 2.59 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 127.432 2.957 . . . . 10.0 112.919 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.22 -146.17 28.89 Favored Glycine 0 CA--C 1.494 -1.273 0 CA-C-O 125.203 2.557 . . . . 10.0 110.469 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -55.57 -34.49 64.82 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 111.807 -2.196 . . . . 10.0 108.796 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.32 158.22 19.72 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.07 -1.877 . . . . 10.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -135.5 127.05 28.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 126.838 2.586 . . . . 10.0 109.692 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mp -101.43 131.6 48.91 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.109 0 CA-C-N 113.89 -1.505 . . . . 10.0 111.894 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.74 126.68 65.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.524 1.765 . . . . 10.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.772 ' HG3' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -117.11 161.57 19.21 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 110.358 -3.11 . . . . 10.0 112.814 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.3 m -148.46 107.63 3.9 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 110.562 -3.017 . . . . 10.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.83 87.04 2.44 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 123.618 1.675 . . . . 10.0 111.568 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -37.2 9.34 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 111.881 -2.418 . . . . 10.0 113.42 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 92.94 -7.93 0.16 Allowed 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 127.678 3.111 . . . . 10.0 111.29 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 t80 -78.77 -20.12 50.62 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 112.634 -2.075 . . . . 10.0 112.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.89 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.355 0.819 0 O-C-N 127.619 3.074 . . . . 10.0 114.196 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 77.56 153.48 0.14 Allowed 'General case' 0 CA--C 1.494 -1.207 1 O-C-N 130.185 4.678 . . . . 10.0 113.519 177.148 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -170.16 101.19 0.28 Allowed 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 125.472 2.558 . . . . 10.0 114.208 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.772 HD12 ' HG3' ' A' ' 52' ' ' ARG . 4.3 mm -96.28 161.67 2.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-N 111.831 -2.44 . . . . 10.0 108.388 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.21 -69.17 0.25 Allowed 'General case' 0 C--O 1.211 -0.951 0 O-C-N 126.068 2.105 . . . . 10.0 111.369 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 76.71 104.31 0.07 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.505 -2.589 . . . . 10.0 109.737 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CD2' HG21 ' A' ' 86' ' ' VAL . 1.6 m-85 -84.98 153.12 22.97 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 113.743 -1.572 . . . . 10.0 114.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -132.87 111.96 11.51 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 113.545 -1.661 . . . . 10.0 109.134 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.07 148.93 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 O-C-N 126.265 2.228 . . . . 10.0 110.743 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.68 21.99 7.76 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-N 113.677 -1.601 . . . . 10.0 114.562 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -132.63 154.16 50.36 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 124.26 1.981 . . . . 10.0 111.615 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 84' ' ' THR . 22.4 tp10 -96.36 151.77 19.22 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.005 -2.362 . . . . 10.0 109.924 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.489 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 9.9 p90 -167.9 160.83 12.59 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.204 -1.816 . . . . 10.0 110.113 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -74.09 155.77 38.13 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 110.875 -2.875 . . . . 10.0 109.965 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.556 ' OE2' HD11 ' A' ' 74' ' ' LEU . 7.2 tt0 -118.6 51.81 1.08 Allowed 'General case' 0 C--O 1.208 -1.091 0 O-C-N 127.786 3.179 . . . . 10.0 114.233 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.7 116.41 2.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 110.745 -2.934 . . . . 10.0 107.742 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.556 HD11 ' OE2' ' A' ' 72' ' ' GLU . 1.7 mt -111.71 9.81 20.95 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 126.849 2.593 . . . . 10.0 113.443 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.53 HG23 ' OD1' ' A' ' 79' ' ' ASP . 7.3 m -57.36 127.25 31.02 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 126.027 2.079 . . . . 10.0 107.558 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.03 14.95 Favored Glycine 0 C--O 1.222 -0.651 0 O-C-N 125.777 1.923 . . . . 10.0 109.174 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.506 HG23 H183 ' A' ' 135' ' ' RTL . 4.1 mp -117.84 -70.16 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 127.751 2.677 . . . . 10.0 112.355 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -137.96 20.87 2.84 Favored 'General case' 0 C--O 1.207 -1.144 0 O-C-N 125.193 1.558 . . . . 10.0 113.698 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 75' ' ' THR . 3.5 m-20 41.2 85.49 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 125.273 1.608 . . . . 10.0 114.679 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.417 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.9 mmp_? -148.06 156.06 42.2 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 111.673 -2.512 . . . . 10.0 111.204 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -140.56 100.86 3.97 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 109.936 -3.302 . . . . 10.0 111.594 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.25 167.97 20.89 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 114.402 -1.272 . . . . 10.0 112.766 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 140.61 29.85 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 126.089 2.118 . . . . 10.0 111.577 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.489 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 95.2 m -131.57 129.18 40.63 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 112.253 -2.249 . . . . 10.0 113.951 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 151.85 38.61 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 111.563 -2.562 . . . . 10.0 108.681 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 64' ' ' PHE . 67.1 t -133.14 127.66 54.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.03 0 CA-C-N 113.569 -1.65 . . . . 10.0 108.452 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -133.23 141.79 48.22 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 110.082 -3.236 . . . . 10.0 112.281 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -79.75 113.29 17.79 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.755 2.534 . . . . 10.0 113.34 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -40.97 18.95 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-O 124.565 2.126 . . . . 10.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.88 107.22 1.16 Allowed Glycine 0 C--O 1.208 -1.497 0 CA-C-N 110.92 -2.855 . . . . 10.0 110.705 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.9 m-20 61.4 21.43 12.0 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 126.006 1.651 . . . . 10.0 112.449 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 92.79 0.81 Allowed 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.305 2.253 . . . . 10.0 111.312 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.563 HD22 ' HZ ' ' A' ' 4' ' ' PHE . 4.7 tp -55.42 110.43 0.69 Allowed 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 127.906 3.254 . . . . 10.0 112.479 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -111.03 125.17 53.46 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 114.495 1.294 . . . . 10.0 114.495 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.413 ' SG ' HG22 ' A' ' 86' ' ' VAL . 5.0 m -121.83 137.06 54.92 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 126.8 2.563 . . . . 10.0 109.492 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.5 145.77 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 O-C-N 128.195 3.435 . . . . 10.0 109.705 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -111.57 102.34 10.68 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 128.095 3.372 . . . . 10.0 108.848 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -36.8 -38.28 0.17 Allowed 'General case' 0 C--O 1.21 -1.02 0 O-C-N 129.063 3.977 . . . . 10.0 112.446 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -9.28 -101.41 0.0 OUTLIER Glycine 0 CA--C 1.5 -0.894 1 O-C-N 130.744 5.028 . . . . 10.0 115.395 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -174.97 -46.39 0.01 OUTLIER 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.187 0.517 . . . . 10.0 111.855 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' CA ' ' HE3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -40.05 130.13 2.13 Favored 'General case' 0 CA--C 1.495 -1.14 0 O-C-N 125.99 2.056 . . . . 10.0 112.735 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.83 109.53 18.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.37 -1.286 . . . . 10.0 110.331 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.39 -16.01 7.15 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.363 -1.744 . . . . 10.0 109.214 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.85 128.17 34.61 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 113.556 -1.322 . . . . 10.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.15 110.97 0.9 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 113.336 -1.756 . . . . 10.0 112.566 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.405 ' NE1' ' HG2' ' A' ' 119' ' ' MET . 2.4 m0 -66.13 160.14 24.68 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 124.454 2.074 . . . . 10.0 114.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.28 142.8 22.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 110.397 -3.092 . . . . 10.0 108.536 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -128.24 -170.22 2.21 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 110.433 -3.076 . . . . 10.0 111.924 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -163.81 -63.85 0.04 OUTLIER 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 123.635 1.683 . . . . 10.0 113.431 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.533 HD12 ' HB ' ' A' ' 2' ' ' VAL . 42.1 mt 70.81 106.93 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-N 113.622 -1.626 . . . . 10.0 110.997 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.08 -32.15 8.84 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 111.311 -2.677 . . . . 10.0 114.031 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.66 110.95 3.47 Favored Glycine 0 C--O 1.22 -0.746 0 O-C-N 128.05 3.344 . . . . 10.0 109.999 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 75.61 35.16 0.55 Allowed 'General case' 0 C--O 1.21 -1.014 0 O-C-N 128.291 2.995 . . . . 10.0 110.047 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 154.94 126.52 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.749 1 O-C-N 129.736 4.398 . . . . 10.0 111.912 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.491 HD21 HG23 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -111.23 166.91 10.69 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 126.242 2.214 . . . . 10.0 107.173 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -151.8 103.41 2.93 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 127.87 3.231 . . . . 10.0 111.325 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.696 HD23 ' HZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -104.44 136.09 44.65 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 126.702 2.501 . . . . 10.0 108.866 179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -109.53 85.51 2.12 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 125.515 1.76 . . . . 10.0 111.337 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.484 ' CG ' HD11 ' A' ' 117' ' ' LEU . 4.9 mtm -74.15 127.21 32.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 O-C-N 125.711 1.882 . . . . 10.0 109.074 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 7.2 mtm180 -138.55 150.21 46.11 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 110.59 -3.005 . . . . 10.0 111.75 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.633 ' O ' HG22 ' A' ' 124' ' ' VAL . . . 173.85 122.22 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.158 2.787 . . . . 10.0 110.297 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 79.9 0.37 2.11 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 124.911 1.382 . . . . 10.0 113.579 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 114.61 -1.98 23.34 Favored Glycine 0 C--O 1.218 -0.888 0 O-C-N 126.342 2.276 . . . . 10.0 114.849 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 121' ' ' ALA . 33.9 m -88.0 172.8 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-O 124.068 1.889 . . . . 10.0 110.013 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -143.99 87.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 111.017 -2.811 . . . . 10.0 114.071 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.2 129.26 40.87 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 126.678 2.486 . . . . 10.0 109.745 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.21 126.56 39.43 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 112.07 -2.332 . . . . 10.0 112.862 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.544 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 31.3 mt-30 -116.51 91.96 3.74 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-N 111.463 -2.608 . . . . 10.0 107.919 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 129' ' ' VAL . 0.3 OUTLIER -79.27 90.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 127.103 2.752 . . . . 10.0 108.919 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.696 ' HZ ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -84.81 -175.69 5.89 Favored 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 127.192 2.808 . . . . 10.0 109.576 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -145.63 132.21 19.84 Favored 'General case' 0 CA--C 1.5 -0.97 0 O-C-N 125.723 1.89 . . . . 10.0 111.372 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -83.22 132.91 35.03 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 127.403 2.94 . . . . 10.0 108.991 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.4 t -90.48 -15.79 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 CA-C-N 114.703 -1.135 . . . . 10.0 112.102 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.1 t60 . . . . . 0 C--O 1.259 1.571 0 CA-C-O 117.339 -1.315 . . . . 10.0 110.341 -179.856 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.697 H182 HD21 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.51 2.476 0 N-CA-C 107.97 -1.589 . . . . 10.0 107.97 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 t -113.37 120.32 63.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 112.075 -2.33 . . . . 10.0 109.251 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -119.05 104.71 10.72 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 127.215 2.822 . . . . 10.0 112.239 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 42' ' ' ILE . 6.3 m-85 -78.54 -46.14 20.19 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 111.267 -2.697 . . . . 10.0 109.048 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -40.24 146.17 0.14 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 128.219 3.449 . . . . 10.0 113.104 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.513 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 134.5 -110.57 0.86 Allowed Glycine 0 C--N 1.342 0.894 0 CA-C-N 109.896 -3.32 . . . . 10.0 114.93 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.455 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -153.8 125.44 7.64 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 116.178 -2.209 . . . . 10.0 112.834 -179.689 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.648 ' CE3' ' HA ' ' A' ' 41' ' ' GLU 0.277 0.9 OUTLIER -117.87 127.33 53.76 Favored 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 130.505 4.878 . . . . 10.0 113.999 -178.312 . . . . . . . . 5 4 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -133.4 147.95 51.78 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 125.133 1.521 . . . . 10.0 107.543 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 ttt -76.16 146.48 39.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 123.507 1.623 . . . . 10.0 114.695 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.422 HD13 ' HD2' ' A' ' 131' ' ' LYS . 5.3 tp -120.86 -42.14 2.52 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 111.742 -2.481 . . . . 10.0 114.049 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -173.93 171.61 3.63 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 125.687 1.867 . . . . 10.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 137.67 50.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.541 -1.663 . . . . 10.0 108.333 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.69 -54.23 3.86 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 126.029 2.081 . . . . 10.0 113.646 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -152.19 41.19 0.64 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.091 -1.413 . . . . 10.0 110.407 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.861 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -76.09 -23.64 55.0 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-O 122.557 1.17 . . . . 10.0 112.452 179.783 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -71.63 -43.26 66.45 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 112.506 -2.134 . . . . 10.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -75.23 -27.18 59.4 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.087 1.422 . . . . 10.0 111.059 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.74 -44.51 96.02 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 113.241 -1.799 . . . . 10.0 113.988 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.861 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 19.6 mt -60.32 -22.01 62.7 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.546 1.641 . . . . 10.0 113.612 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -33.01 74.93 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 125.874 2.75 . . . . 10.0 114.147 -179.702 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -36.94 85.46 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 112.452 -2.158 . . . . 10.0 115.557 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.636 ' HB2' HG23 ' A' ' 25' ' ' VAL . 1.7 mt -91.77 14.53 15.12 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.611 1.196 . . . . 10.0 112.662 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 55.43 35.56 25.3 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 124.23 1.967 . . . . 10.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 23' ' ' LEU . 69.4 t -66.51 134.49 29.9 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.07 0 CA-C-N 111.655 -2.52 . . . . 10.0 108.044 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -46.58 161.18 0.06 Allowed 'General case' 0 C--O 1.214 -0.795 0 O-C-N 125.918 2.011 . . . . 10.0 114.545 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.16 -32.58 26.7 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 0 O-C-N 125.307 1.629 . . . . 10.0 110.215 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.4 73.38 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 126.232 2.207 . . . . 10.0 114.73 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -31.6 61.07 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-N 113.708 -1.587 . . . . 10.0 112.32 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -75.05 -31.5 61.31 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.489 -1.232 . . . . 10.0 109.461 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -68.19 -39.15 82.57 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 111.975 -2.375 . . . . 10.0 112.073 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 mt -71.72 -29.28 33.55 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 CA-C-N 111.316 -2.674 . . . . 10.0 112.524 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.99 63.55 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 111.946 -2.388 . . . . 10.0 114.746 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -66.36 -20.97 66.22 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.881 -1.509 . . . . 10.0 114.154 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.69 -1.19 12.17 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 126.031 2.082 . . . . 10.0 114.182 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 32' ' ' ILE . 1.8 mm? -99.82 143.67 29.77 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 126.886 2.616 . . . . 10.0 114.069 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -153.77 86.06 3.92 Favored Pre-proline 0 C--O 1.209 -1.068 0 O-C-N 126.834 2.584 . . . . 10.0 108.77 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -78.22 173.05 14.44 Favored 'Trans proline' 0 CA--C 1.506 -0.921 0 O-C-N 128.074 3.671 . . . . 10.0 110.544 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 54' ' ' LEU . 5.5 m-20 -122.53 138.61 54.51 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 111.655 -2.521 . . . . 10.0 108.964 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -94.48 168.69 10.71 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 114.464 -1.244 . . . . 10.0 110.688 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.648 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 24.8 tt0 -151.64 89.5 1.49 Allowed 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 128.674 3.734 . . . . 10.0 111.662 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 4' ' ' PHE . 23.3 mm -76.81 159.2 5.19 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 CA-C-O 123.203 1.478 . . . . 10.0 109.934 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 43' ' ' VAL . 54.2 t -151.43 90.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-O 123.998 1.856 . . . . 10.0 113.352 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -76.33 126.96 31.93 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 110.774 -2.921 . . . . 10.0 109.723 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -110.48 -71.91 0.74 Allowed 'General case' 0 CA--C 1.497 -1.084 0 CA-C-O 124.186 1.946 . . . . 10.0 110.849 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.0 102.71 0.19 Allowed Glycine 0 C--O 1.221 -0.704 0 N-CA-C 108.589 -1.805 . . . . 10.0 108.589 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 82.21 17.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 129.045 3.438 . . . . 10.0 108.751 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -151.71 176.52 11.31 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 125.43 1.706 . . . . 10.0 108.561 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.4 ttm -168.91 122.98 0.84 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-N 110.985 -2.825 . . . . 10.0 114.379 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.82 129.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 O-C-N 126.495 2.372 . . . . 10.0 108.553 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -112.5 112.33 40.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 110.357 -3.11 . . . . 10.0 112.38 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' HG3' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -112.76 143.19 44.41 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 125.473 2.558 . . . . 10.0 111.574 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -126.41 117.33 22.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 110.995 -2.82 . . . . 10.0 108.086 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -114.73 105.51 13.12 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.967 -1.924 . . . . 10.0 113.672 -179.504 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -123.96 179.64 4.76 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 112.852 -1.976 . . . . 10.0 109.531 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -93.4 -10.89 33.65 Favored 'General case' 0 CA--C 1.507 -0.7 0 O-C-N 127.238 2.836 . . . . 10.0 108.78 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -94.17 -28.14 15.82 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.304 -1.358 . . . . 10.0 113.276 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 175.7 156.07 0.2 Allowed 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 124.235 1.969 . . . . 10.0 111.917 179.617 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -108.5 104.89 14.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 110.694 -2.957 . . . . 10.0 111.396 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -93.24 128.98 39.44 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.168 -0.924 . . . . 10.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 62' ' ' MET . 3.0 mm -121.24 162.41 20.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.063 0 O-C-N 124.604 1.19 . . . . 10.0 112.509 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.533 ' N ' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER 177.46 129.3 0.05 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 114.737 -1.12 . . . . 10.0 109.796 -179.541 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.85 113.95 27.86 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 114.719 -1.128 . . . . 10.0 112.19 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -97.91 112.0 24.09 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 124.574 2.131 . . . . 10.0 115.278 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -103.96 119.19 38.4 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 112.96 -1.927 . . . . 10.0 108.693 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.83 125.21 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 CA-C-N 111.583 -2.553 . . . . 10.0 114.221 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.56 90.13 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 111.796 -2.456 . . . . 10.0 112.801 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -106.73 136.88 45.79 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 113.551 -1.324 . . . . 10.0 107.911 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.14 120.61 41.02 Favored 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 127.595 3.059 . . . . 10.0 109.138 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -136.8 161.85 34.85 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 125.935 2.022 . . . . 10.0 112.88 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.67 149.43 41.94 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 110.883 -2.871 . . . . 10.0 109.086 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -118.31 144.11 46.09 Favored 'General case' 0 C--O 1.209 -1.035 1 O-C-N 129.268 4.105 . . . . 10.0 110.248 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -121.23 95.36 4.66 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 111.332 -2.667 . . . . 10.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD13 HH22 ' A' ' 104' ' ' ARG . 7.6 mt -94.05 56.23 2.21 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 125.856 1.973 . . . . 10.0 111.204 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.1 p -95.23 119.89 34.52 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 109.419 -3.537 . . . . 10.0 109.096 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.77 -10.7 12.26 Favored Glycine 0 N--CA 1.471 0.97 0 N-CA-C 108.428 -1.869 . . . . 10.0 108.428 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.1 -67.9 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 113.519 -1.34 . . . . 10.0 111.647 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -114.21 -32.65 5.92 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 127.385 2.928 . . . . 10.0 113.127 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 80.25 79.21 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 124.546 2.117 . . . . 10.0 109.369 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -177.63 176.54 1.24 Allowed 'General case' 0 CA--C 1.496 -1.121 0 CA-C-N 112.466 -2.152 . . . . 10.0 109.98 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 5.0 mtpp -138.29 153.81 49.04 Favored 'General case' 0 CA--C 1.497 -1.08 0 C-N-CA 118.16 -1.416 . . . . 10.0 112.25 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 p -144.28 165.89 26.6 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 124.68 2.181 . . . . 10.0 113.08 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.2 mtt -105.7 119.88 40.27 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 111.554 -2.566 . . . . 10.0 109.83 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -108.01 144.45 35.31 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.417 -1.265 . . . . 10.0 113.568 -179.598 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.76 123.11 11.62 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.871 3.232 . . . . 10.0 109.622 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 50.0 t -98.85 117.59 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-O 123.931 1.824 . . . . 10.0 112.776 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.3 t -130.78 78.0 1.82 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.22 -2.718 . . . . 10.0 111.799 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 88' ' ' TRP . 0.1 OUTLIER -48.07 146.38 2.62 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 110.488 -3.051 . . . . 10.0 110.498 179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.58 96.17 3.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 124.829 2.252 . . . . 10.0 111.866 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.57 -122.17 9.24 Favored Glycine 0 N--CA 1.471 1.016 0 CA-C-N 110.872 -2.876 . . . . 10.0 110.988 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.35 2.94 48.81 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 124.428 1.091 . . . . 10.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -116.29 150.31 37.83 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 124.716 2.198 . . . . 10.0 111.869 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 105.07 11.63 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 112.224 -2.262 . . . . 10.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -97.12 150.32 20.98 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 127.958 3.286 . . . . 10.0 112.891 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.0 m -144.48 121.3 11.25 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 112.982 -1.917 . . . . 10.0 113.438 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.73 136.43 56.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 112.449 -2.16 . . . . 10.0 110.43 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.473 ' HG3' ' HA2' ' A' ' 105' ' ' GLY . 2.9 mt-30 -121.43 137.7 54.6 Favored 'General case' 0 C--O 1.209 -1.026 0 CA-C-N 114.777 -1.101 . . . . 10.0 108.968 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -111.46 83.14 1.72 Allowed 'General case' 0 C--O 1.21 -0.997 0 O-C-N 128.233 3.458 . . . . 10.0 112.858 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.61 -68.51 1.31 Allowed Glycine 0 C--O 1.211 -1.329 0 CA-C-N 110.625 -2.989 . . . . 10.0 110.605 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 175.02 -41.85 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 124.71 2.195 . . . . 10.0 110.275 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -75.69 152.47 37.51 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 111.916 -2.402 . . . . 10.0 108.864 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -93.69 146.25 23.98 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 127.138 2.774 . . . . 10.0 112.415 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.85 -19.66 46.25 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 110.096 -3.229 . . . . 10.0 112.52 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.401 HH22 HD13 ' A' ' 74' ' ' LEU . 35.8 mtp85 -55.6 114.23 1.77 Allowed 'General case' 0 C--O 1.209 -1.033 0 O-C-N 127.123 2.308 . . . . 10.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.473 ' HA2' ' HG3' ' A' ' 97' ' ' GLN . . . 140.11 146.51 4.85 Favored Glycine 0 C--O 1.219 -0.809 0 N-CA-C 108.346 -1.901 . . . . 10.0 108.346 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.463 ' CH2' H151 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -129.54 168.45 16.37 Favored 'General case' 0 C--O 1.208 -1.129 0 CA-C-O 122.574 1.178 . . . . 10.0 113.703 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.4 m -128.48 146.43 50.82 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 110.389 -3.096 . . . . 10.0 108.993 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.34 134.93 53.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 129.006 3.941 . . . . 10.0 110.344 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -157.88 106.09 2.02 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 112.574 -2.103 . . . . 10.0 113.462 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.94 142.41 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 CA-C-N 111.157 -2.747 . . . . 10.0 109.923 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -124.08 70.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 112.242 -2.254 . . . . 10.0 111.084 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.15 -90.64 1.11 Allowed Glycine 0 N--CA 1.471 0.994 0 CA-C-O 123.247 1.471 . . . . 10.0 113.722 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.37 26.14 10.69 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.386 -0.907 . . . . 10.0 109.564 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -138.04 124.54 20.77 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 123.171 1.462 . . . . 10.0 112.436 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.6 tp -96.88 80.38 3.01 Favored 'General case' 0 CA--C 1.493 -1.228 0 CA-C-N 114.546 -1.206 . . . . 10.0 110.802 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 24.1 t60 -90.3 150.64 21.83 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 125.634 2.635 . . . . 10.0 114.523 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -153.01 151.82 30.7 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 111.988 -2.369 . . . . 10.0 110.192 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -112.56 116.52 30.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 113.531 -1.668 . . . . 10.0 110.126 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 mtt -102.25 159.43 15.41 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 113.995 -1.457 . . . . 10.0 108.589 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -155.18 139.33 16.52 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 113.819 -1.537 . . . . 10.0 111.705 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -158.55 115.57 2.82 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.066 2.104 . . . . 10.0 113.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 63.45 25.84 14.65 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 110.402 -3.09 . . . . 10.0 114.032 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.35 59.74 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 118.711 -1.709 . . . . 10.0 112.928 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.4 t -104.23 138.34 29.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 107.733 -1.21 . . . . 10.0 107.733 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -105.98 131.57 53.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 124.528 1.143 . . . . 10.0 113.145 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.96 127.05 9.06 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 125.591 1.807 . . . . 10.0 109.314 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 111.52 11.99 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 125.896 1.998 . . . . 10.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -76.2 145.84 39.54 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 112.429 -2.169 . . . . 10.0 107.701 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.79 84.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 O-C-N 126.744 2.527 . . . . 10.0 113.413 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -81.48 149.75 28.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 110.757 -2.929 . . . . 10.0 108.529 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.422 ' HD2' HD13 ' A' ' 11' ' ' LEU . 8.1 mttt -113.33 139.59 48.73 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 127.518 3.011 . . . . 10.0 112.577 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -80.85 122.91 27.8 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 112.432 -2.167 . . . . 10.0 111.218 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -95.64 -7.89 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 CA-C-N 113.142 -1.845 . . . . 10.0 109.329 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.235 -1.348 . . . . 10.0 111.947 -179.783 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.52 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo . . . . . 0 N--CA 1.502 2.017 0 CA-C-O 125.087 2.036 . . . . 10.0 108.831 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.01 164.77 14.96 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 CA-C-N 112.125 -2.307 . . . . 10.0 110.178 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.26 143.61 49.06 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 125.215 1.572 . . . . 10.0 109.56 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -112.89 2.54 15.91 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 114.658 1.355 . . . . 10.0 114.658 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -69.61 131.94 45.42 Favored 'General case' 0 CA--C 1.502 -0.869 0 C-N-CA 117.927 -1.509 . . . . 10.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.36 -170.69 39.64 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 117.774 -2.155 . . . . 10.0 111.693 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -115.63 91.02 3.47 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 128.024 2.838 . . . . 10.0 108.415 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 130' ' ' PHE . 5.3 m0 -86.65 151.93 23.01 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.314 -1.766 . . . . 10.0 109.004 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 39' ' ' ASP . 4.1 ptmt 173.93 157.53 0.14 Allowed 'General case' 0 C--O 1.213 -0.851 0 O-C-N 127.452 2.97 . . . . 10.0 113.76 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.9 ttm 65.98 86.67 0.13 Allowed 'General case' 0 CA--C 1.497 -1.076 0 CA-C-O 124.563 2.125 . . . . 10.0 115.362 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -112.39 101.68 9.86 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 112.355 -2.202 . . . . 10.0 109.836 -179.855 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t -48.74 94.93 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 111.514 -2.585 . . . . 10.0 109.632 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' LEU . 32.4 m120 -44.71 131.68 6.76 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.415 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -148.96 111.67 4.8 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 127.159 2.787 . . . . 10.0 111.214 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 61.53 23.42 13.7 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-O 125.112 2.387 . . . . 10.0 110.328 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -74.53 -39.33 62.42 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 109.295 -3.593 . . . . 10.0 113.565 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.9 -29.98 39.99 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 113.346 -1.752 . . . . 10.0 109.409 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -74.49 -20.27 60.06 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 124.461 2.077 . . . . 10.0 110.523 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -78.06 -24.43 47.71 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 111.618 -2.537 . . . . 10.0 112.79 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.682 HD21 H182 ' A' ' 135' ' ' RTL . 89.9 mt -73.43 -26.62 61.03 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.872 -1.058 . . . . 10.0 112.931 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.58 -23.0 58.68 Favored 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.377 2.923 . . . . 10.0 112.622 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -27.08 64.73 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 123.634 1.683 . . . . 10.0 111.296 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.62 8.97 33.39 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 113.843 -1.526 . . . . 10.0 113.664 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 51.92 64.82 1.7 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 114.05 -1.432 . . . . 10.0 114.386 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -112.7 152.43 14.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 114.788 -1.096 . . . . 10.0 109.237 179.812 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -34.45 134.67 0.2 Allowed 'General case' 0 N--CA 1.474 0.748 1 O-C-N 130.027 4.579 . . . . 10.0 111.532 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -22.29 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 O-C-N 126.856 2.597 . . . . 10.0 113.801 -179.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.38 -32.26 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 110.549 -3.023 . . . . 10.0 113.231 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -23.88 63.49 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 125.048 2.356 . . . . 10.0 113.032 179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -79.8 -28.09 40.27 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 111.548 -2.569 . . . . 10.0 110.497 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.24 67.02 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 125.181 2.42 . . . . 10.0 114.239 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.497 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -74.69 -35.23 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-N 111.362 -2.654 . . . . 10.0 114.172 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -27.1 66.22 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 112.151 -2.295 . . . . 10.0 114.986 -179.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.57 -24.25 63.67 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 123.475 1.607 . . . . 10.0 112.169 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.05 17.64 17.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 123.172 1.463 . . . . 10.0 113.285 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 36' ' ' LEU . 11.2 tp -101.03 92.06 4.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.983 -1.917 . . . . 10.0 114.028 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -103.22 109.27 61.33 Favored Pre-proline 0 N--CA 1.476 0.858 0 CA-C-N 110.723 -2.944 . . . . 10.0 106.632 179.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . 0.283 0.0 OUTLIER -112.25 -168.13 0.02 OUTLIER 'Trans proline' 0 CA--C 1.492 -1.579 0 C-N-CA 121.698 1.599 . . . . 10.0 114.732 -178.59 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 9' ' ' LYS . 11.1 p-10 -133.55 170.63 15.23 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 112.461 -2.154 . . . . 10.0 108.015 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -146.53 142.02 27.6 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 112.183 -2.28 . . . . 10.0 111.498 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.93 92.5 3.55 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.401 -2.181 . . . . 10.0 111.728 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.51 135.05 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-N 111.534 -2.575 . . . . 10.0 109.744 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.8 101.08 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 O-C-N 128.168 3.418 . . . . 10.0 113.147 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -96.97 116.85 29.93 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 122.033 0.92 . . . . 10.0 112.549 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.14 -10.16 16.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 113.212 -1.813 . . . . 10.0 111.55 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.05 118.54 3.83 Favored Glycine 0 N--CA 1.446 -0.672 0 O-C-N 126.329 2.268 . . . . 10.0 109.08 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 60.22 27.83 17.37 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 127.5 2.53 . . . . 10.0 108.046 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -170.59 129.11 0.82 Allowed 'General case' 0 C--O 1.209 -1.04 0 O-C-N 127.392 2.932 . . . . 10.0 111.236 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -143.93 106.97 4.5 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 113.649 -1.614 . . . . 10.0 112.954 179.646 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.36 110.72 20.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 123.617 1.675 . . . . 10.0 109.746 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.534 HD13 H152 ' A' ' 135' ' ' RTL . 2.4 mt -101.78 111.04 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 CA-C-O 124.527 2.108 . . . . 10.0 108.603 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -110.39 119.4 39.07 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-N 112.961 -1.927 . . . . 10.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -107.2 121.48 44.62 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 111.573 -2.558 . . . . 10.0 108.67 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.8 mt -112.23 64.38 0.63 Allowed 'General case' 0 C--O 1.211 -0.957 0 CA-C-O 123.484 1.612 . . . . 10.0 114.458 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.3 p -68.16 -18.11 64.52 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 113.347 -1.751 . . . . 10.0 110.401 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m 63.62 19.42 11.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.699 -1.137 . . . . 10.0 109.525 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 3.0 t80 -120.23 1.81 10.82 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 126.902 2.626 . . . . 10.0 113.328 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 170.67 -32.27 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.167 0 O-C-N 126.974 2.672 . . . . 10.0 113.026 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.4 m120 71.63 99.88 0.07 Allowed 'General case' 0 CA--C 1.495 -1.154 2 O-C-N 131.208 5.317 . . . . 10.0 114.464 176.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' C ' HD12 ' A' ' 61' ' ' ILE . 13.8 t80 -115.39 141.29 48.24 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 118.795 -1.162 . . . . 10.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.583 HD12 ' C ' ' A' ' 60' ' ' TYR . 4.9 mp -144.19 152.62 15.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 114.389 -1.278 . . . . 10.0 112.494 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.495 ' N ' HG22 ' A' ' 61' ' ' ILE . 2.1 mtm -153.57 158.4 41.15 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.456 2.973 . . . . 10.0 110.213 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.87 39.1 2.09 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 111.707 -2.497 . . . . 10.0 113.456 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.419 ' HB2' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -27.34 110.33 0.04 OUTLIER 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 128.702 3.751 . . . . 10.0 114.245 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.64 136.05 54.11 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 123.98 1.847 . . . . 10.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.78 131.51 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.136 0 CA-C-N 110.231 -3.168 . . . . 10.0 113.424 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.45 29.36 60.53 Favored Glycine 0 C--O 1.209 -1.447 0 CA-C-N 114.857 -1.065 . . . . 10.0 113.933 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -93.69 -45.68 7.59 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 118.913 -1.115 . . . . 10.0 110.754 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 78.52 106.17 0.07 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 127.424 2.953 . . . . 10.0 109.5 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 18.6 p90 -141.82 172.56 12.52 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 112.031 -2.349 . . . . 10.0 113.608 -179.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -91.78 132.05 36.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 124.217 1.961 . . . . 10.0 110.506 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -106.3 80.06 1.45 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 112.051 -2.34 . . . . 10.0 111.068 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.89 113.52 2.83 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 123.234 1.492 . . . . 10.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 tp -102.31 61.47 0.85 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 124.67 2.176 . . . . 10.0 111.775 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 143.35 30.09 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 110.513 -3.04 . . . . 10.0 109.001 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.11 -3.47 64.41 Favored Glycine 0 C--O 1.209 -1.439 0 O-C-N 126.836 2.585 . . . . 10.0 108.741 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.25 -67.29 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 112.059 -2.071 . . . . 10.0 108.786 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -140.55 9.42 2.23 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 113.577 -1.647 . . . . 10.0 114.735 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 45.08 75.75 0.1 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 124.455 2.074 . . . . 10.0 111.345 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -152.43 128.71 10.54 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 112.658 -2.065 . . . . 10.0 108.729 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -102.51 131.9 48.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 126.218 2.199 . . . . 10.0 108.721 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 62.6 m -143.01 134.16 25.82 Favored 'General case' 0 CA--C 1.5 -0.965 0 O-C-N 127.415 2.947 . . . . 10.0 114.938 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.436 ' HB2' ' CB ' ' A' ' 98' ' ' LYS . 19.9 mtt -69.09 159.33 33.09 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 112.677 -2.056 . . . . 10.0 108.769 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 159.57 42.57 Favored 'General case' 0 CA--C 1.507 -0.69 0 O-C-N 127.442 2.964 . . . . 10.0 114.076 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.05 158.4 36.4 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.31 -1.768 . . . . 10.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -140.24 116.36 8.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.087 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.2 m -126.96 101.85 6.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 112.216 -2.266 . . . . 10.0 111.896 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 165.58 22.02 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 126.197 2.186 . . . . 10.0 112.233 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.86 -51.48 2.36 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 108.896 -3.774 . . . . 10.0 109.727 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.76 -92.51 0.08 OUTLIER Glycine 0 C--O 1.209 -1.432 0 CA-C-N 111.859 -2.428 . . . . 10.0 113.702 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -44.29 96.9 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 123.65 1.691 . . . . 10.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 176.32 5.86 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 112.821 -1.991 . . . . 10.0 111.245 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.2 122.18 7.07 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 110.778 -2.919 . . . . 10.0 108.461 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.819 ' HB3' HG23 ' A' ' 107' ' ' THR . 0.3 OUTLIER -127.41 167.97 15.49 Favored 'General case' 0 CA--C 1.495 -1.157 0 O-C-N 128.849 3.843 . . . . 10.0 110.658 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.53 176.65 8.43 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 111.542 -2.572 . . . . 10.0 111.436 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.3 t -151.98 139.59 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 O-C-N 127.744 3.153 . . . . 10.0 109.002 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 104' ' ' ARG . 71.3 mt-30 -107.2 126.52 52.51 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 111.873 -2.421 . . . . 10.0 108.705 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.436 ' CB ' ' HB2' ' A' ' 83' ' ' MET . 46.7 mttt -104.97 81.55 1.75 Allowed 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 111.387 -2.642 . . . . 10.0 112.139 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.24 -103.87 1.94 Allowed Glycine 0 C--N 1.348 1.202 0 CA-C-N 110.26 -3.155 . . . . 10.0 113.874 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -161.03 -45.11 0.04 OUTLIER 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 111.514 -2.343 . . . . 10.0 114.979 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -98.68 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 124.226 0.954 . . . . 10.0 111.474 179.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -178.18 166.85 1.96 Allowed 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 122.979 1.371 . . . . 10.0 112.593 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.13 38.51 67.0 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 109.563 -3.472 . . . . 10.0 114.567 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' CB ' ' HB2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -95.98 153.89 17.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.79 -0.818 . . . . 10.0 108.79 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.26 165.49 20.31 Favored Glycine 0 CA--C 1.493 -1.291 0 O-C-N 127.372 2.92 . . . . 10.0 109.536 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.62 2.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 123.593 1.663 . . . . 10.0 111.722 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.819 HG23 ' HB3' ' A' ' 94' ' ' GLN . 38.1 m -158.37 135.1 9.64 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-N 111.884 -2.416 . . . . 10.0 111.244 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.447 ' CG ' HD11 ' A' ' 115' ' ' LEU . 2.5 tt0 -110.82 144.76 39.32 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 113.811 -1.54 . . . . 10.0 108.213 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -158.74 95.8 1.33 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.022 -2.353 . . . . 10.0 112.983 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.556 ' HA ' HD22 ' A' ' 115' ' ' LEU . 6.4 mt -62.69 132.76 28.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 128.42 3.575 . . . . 10.0 113.197 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -141.12 81.56 1.79 Allowed 'General case' 0 C--O 1.219 -0.538 0 O-C-N 126.516 2.385 . . . . 10.0 114.085 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.18 -122.59 9.87 Favored Glycine 0 C--O 1.211 -1.293 0 CA-C-N 113.626 -1.625 . . . . 10.0 110.208 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -97.88 21.43 10.59 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 123.084 1.421 . . . . 10.0 112.376 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.52 123.05 11.08 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 113.348 -1.751 . . . . 10.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 116' ' ' HIS . 2.3 tm? -92.67 133.76 35.69 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 115.238 -0.892 . . . . 10.0 109.944 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.748 ' N ' HD13 ' A' ' 115' ' ' LEU . 7.8 t60 -98.37 107.83 20.39 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 128.081 3.363 . . . . 10.0 111.947 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.7 tp -112.46 134.32 54.05 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 112.245 -2.252 . . . . 10.0 114.524 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.45 106.08 6.88 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 113.772 -1.558 . . . . 10.0 110.322 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 mtt -107.39 124.24 49.54 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 112.771 -2.013 . . . . 10.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 81.6 mtt180 -112.13 162.65 15.2 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 125.415 1.697 . . . . 10.0 108.834 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 179.82 116.49 0.05 Allowed 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 125.618 1.824 . . . . 10.0 114.373 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.29 23.38 5.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 127.645 3.091 . . . . 10.0 114.215 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.43 8.64 59.67 Favored Glycine 0 CA--C 1.501 -0.816 0 CA-C-O 123.092 1.384 . . . . 10.0 112.667 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.32 133.64 66.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-O 122.64 1.21 . . . . 10.0 108.442 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 95.4 m -99.56 124.56 44.87 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 113.752 -1.567 . . . . 10.0 113.55 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.65 136.3 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 128.182 3.426 . . . . 10.0 108.717 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.94 143.73 48.39 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-O 123.011 1.386 . . . . 10.0 112.806 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -127.8 145.25 50.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 111.075 -2.784 . . . . 10.0 108.408 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.02 62.71 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.096 0 O-C-N 127.234 2.834 . . . . 10.0 114.047 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.789 ' HB3' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.65 139.93 42.99 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 111.759 -2.473 . . . . 10.0 111.371 -179.482 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.27 1.6 mmpt? -104.06 122.35 45.1 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 109.466 -3.516 . . . . 10.0 112.841 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -81.49 113.64 19.68 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 128.14 3.4 . . . . 10.0 110.109 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.4 HG21 ' HE2' ' A' ' 9' ' ' LYS . 22.2 t -84.01 -51.13 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 111.632 -2.531 . . . . 10.0 112.351 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--O 1.259 1.572 0 O-C-N 124.765 1.291 . . . . 10.0 113.18 179.98 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.714 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo . . . . . 0 N--CA 1.502 1.998 0 N-CA-C 111.469 -0.243 . . . . 10.0 111.469 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 110' ' ' ILE . 4.1 t -74.63 145.88 10.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.124 0 CA-C-O 123.223 1.487 . . . . 10.0 113.778 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -106.3 104.15 13.78 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 110.023 -3.262 . . . . 10.0 108.407 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' A' ' 42' ' ' ILE . 8.5 m-85 -76.17 -55.1 5.89 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 126.844 2.59 . . . . 10.0 108.778 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 47.0 t-20 -45.62 144.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.807 0 O-C-N 127.703 3.127 . . . . 10.0 113.151 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.514 ' N ' ' CZ2' ' A' ' 8' ' ' TRP . . . 138.0 -108.71 0.64 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 111.75 -2.477 . . . . 10.0 115.08 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.514 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -157.62 128.51 6.56 Favored 'General case' 0 C--O 1.209 -1.063 0 C-N-CA 116.244 -2.183 . . . . 10.0 112.896 -179.285 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HD1' HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -127.45 105.28 8.4 Favored 'General case' 0 CA--C 1.502 -0.879 1 O-C-N 130.69 4.994 . . . . 10.0 113.704 -177.667 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -114.53 139.75 49.32 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 118.383 -1.327 . . . . 10.0 107.745 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttm -73.0 139.98 47.02 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 126.302 2.251 . . . . 10.0 111.981 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -112.63 -43.51 3.46 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 113.372 -1.74 . . . . 10.0 114.558 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -147.58 164.62 32.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 125.889 1.993 . . . . 10.0 113.571 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -125.44 121.13 32.92 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 128.115 3.384 . . . . 10.0 110.334 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -121.86 126.7 49.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 113.213 -1.812 . . . . 10.0 109.497 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 58.63 30.25 19.63 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-N 111.429 -2.623 . . . . 10.0 112.997 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.459 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 32.0 t80 -76.9 -26.22 53.91 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 112.415 -2.175 . . . . 10.0 113.231 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.74 -35.75 38.33 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 112.305 -2.225 . . . . 10.0 110.197 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.16 -31.26 60.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.977 -1.465 . . . . 10.0 113.005 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -75.18 -29.44 60.38 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 110.923 -2.853 . . . . 10.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD22 HG11 ' A' ' 25' ' ' VAL . 11.8 mt -73.23 -27.23 61.48 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.308 -2.678 . . . . 10.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -22.26 57.65 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 110.524 -3.034 . . . . 10.0 109.832 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB2' HG21 ' A' ' 124' ' ' VAL . . . -65.68 -25.57 67.39 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.914 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.53 5.97 23.64 Favored 'General case' 0 CA--C 1.494 -1.199 0 O-C-N 126.927 2.642 . . . . 10.0 112.562 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.53 42.38 27.38 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 123.381 1.563 . . . . 10.0 114.783 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 20' ' ' LEU . 42.4 t -69.37 128.76 33.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 111.286 -2.688 . . . . 10.0 112.069 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -47.42 154.37 0.43 Allowed 'General case' 0 C--O 1.208 -1.118 0 O-C-N 127.785 3.178 . . . . 10.0 113.364 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 t -66.9 -28.98 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.016 0 O-C-N 126.814 2.571 . . . . 10.0 115.356 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -73.48 -34.92 65.58 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 124.334 2.016 . . . . 10.0 113.779 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.0 -33.74 44.68 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 112.139 -2.3 . . . . 10.0 114.769 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -73.83 -22.2 59.86 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 123.85 1.786 . . . . 10.0 111.988 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -75.67 -48.06 23.64 Favored 'General case' 0 C--O 1.209 -1.045 0 CA-C-N 109.684 -3.416 . . . . 10.0 110.043 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 28' ' ' ALA . 9.6 mt -65.77 -37.81 80.79 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 O-C-N 125.481 1.738 . . . . 10.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB1' ' HE2' ' A' ' 16' ' ' PHE . . . -73.5 -20.14 60.75 Favored 'General case' 0 C--O 1.211 -0.949 0 O-C-N 125.924 2.015 . . . . 10.0 113.82 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -65.44 -29.65 70.35 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 111.179 -2.737 . . . . 10.0 113.8 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.74 8.4 22.49 Favored 'General case' 0 C--O 1.209 -1.075 0 O-C-N 126.261 2.225 . . . . 10.0 111.265 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.02 130.75 48.66 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-N 111.203 -2.726 . . . . 10.0 113.441 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.29 79.32 37.05 Favored Pre-proline 0 CA--C 1.501 -0.915 0 CA-C-O 124.167 1.937 . . . . 10.0 109.32 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 55' ' ' SER . 5.2 Cg_endo -66.05 134.4 36.79 Favored 'Trans proline' 0 C--O 1.211 -0.861 0 CA-C-N 110.932 -2.203 . . . . 10.0 113.362 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.14 135.13 33.99 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 109.298 -3.592 . . . . 10.0 107.279 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -89.98 175.12 7.31 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 125.894 1.996 . . . . 10.0 114.053 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.653 ' HA ' ' CZ3' ' A' ' 8' ' ' TRP . 2.2 mt-10 -151.29 95.03 2.1 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 128.667 3.729 . . . . 10.0 112.935 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 4' ' ' PHE . 3.5 mp -86.46 153.43 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.035 0 CA-C-O 124.189 1.947 . . . . 10.0 109.058 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 80.1 t -139.74 84.76 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 CA-C-O 125.322 2.487 . . . . 10.0 111.267 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -74.07 111.66 9.45 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 111.799 -2.455 . . . . 10.0 112.832 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -141.29 74.39 1.46 Allowed 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 111.539 -2.573 . . . . 10.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.78 -145.45 21.74 Favored Glycine 0 C--O 1.209 -1.457 0 CA-C-N 110.89 -2.868 . . . . 10.0 114.36 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -42.31 -42.63 3.2 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 111.261 -2.47 . . . . 10.0 113.972 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -103.61 171.61 7.26 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 125.196 2.427 . . . . 10.0 114.4 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.8 ttp -143.55 141.92 30.89 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 110.437 -3.074 . . . . 10.0 108.49 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.7 mt -129.83 120.08 49.09 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.015 0 O-C-N 127.147 2.779 . . . . 10.0 111.922 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -100.19 120.29 49.43 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 1 O-C-N 129.837 4.461 . . . . 10.0 112.182 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.639 ' HG3' HD12 ' A' ' 61' ' ' ILE . 2.4 mtt180 -111.27 133.33 53.68 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 128.067 3.354 . . . . 10.0 109.466 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 m -112.86 109.03 18.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 111.866 -2.425 . . . . 10.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.77 93.69 5.69 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 126.522 2.389 . . . . 10.0 109.574 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -116.17 -8.28 11.77 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 113.912 -1.495 . . . . 10.0 113.827 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 m 79.07 -62.48 0.31 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 128.211 3.444 . . . . 10.0 108.465 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -45.54 -39.91 8.0 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 127.035 2.709 . . . . 10.0 107.894 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ttm-85 -165.69 150.22 8.48 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 110.154 -3.203 . . . . 10.0 113.2 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -106.22 124.05 48.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 112.284 -2.235 . . . . 10.0 111.92 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.699 ' C ' HD13 ' A' ' 61' ' ' ILE . 7.5 t80 -128.45 120.37 26.75 Favored 'General case' 0 C--O 1.209 -1.047 0 O-C-N 125.372 1.67 . . . . 10.0 113.613 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.699 HD13 ' C ' ' A' ' 60' ' ' TYR . 1.6 mm -113.49 151.38 15.35 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.868 0 O-C-N 126.281 2.238 . . . . 10.0 112.856 -179.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.1 mtp -148.53 116.76 6.47 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 126.407 2.317 . . . . 10.0 108.28 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.27 96.71 10.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 111.672 -2.513 . . . . 10.0 109.212 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 86' ' ' VAL . 2.7 m-85 -99.3 103.02 14.82 Favored 'General case' 0 CA--C 1.502 -0.873 0 O-C-N 126.674 2.484 . . . . 10.0 113.655 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -99.84 91.31 4.77 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 126.949 2.656 . . . . 10.0 107.937 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG22 HG11 ' A' ' 86' ' ' VAL . 47.7 t -40.42 107.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 CA-C-N 111.917 -2.402 . . . . 10.0 114.301 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 4.92 28.55 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 111.293 -2.685 . . . . 10.0 113.457 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.93 141.07 52.14 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.062 -2.069 . . . . 10.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -97.73 119.41 36.26 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 124.897 2.284 . . . . 10.0 110.579 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.448 ' CE1' ' HB ' ' A' ' 84' ' ' THR . 0.9 OUTLIER -123.41 156.57 35.2 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 110.939 -2.846 . . . . 10.0 110.578 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.16 108.12 19.55 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 110.314 -3.13 . . . . 10.0 110.681 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.4 mt-10 -83.55 113.41 20.8 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 113.314 -1.767 . . . . 10.0 114.154 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.56 116.71 32.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 126.182 2.176 . . . . 10.0 109.597 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HD12 ' A' ' 77' ' ' ILE . 14.7 mt -102.28 54.55 0.79 Allowed 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.365 -2.198 . . . . 10.0 114.328 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 3.2 m -76.57 -12.03 59.96 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 126.882 2.614 . . . . 10.0 112.305 -179.516 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.71 14.77 56.18 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 110.492 -3.049 . . . . 10.0 108.978 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.682 HD12 HD22 ' A' ' 74' ' ' LEU . 70.4 mt -133.93 -66.45 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.029 0 O-C-N 126.515 1.95 . . . . 10.0 109.655 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -165.16 53.69 0.11 Allowed 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.805 -1.089 . . . . 10.0 109.824 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 47.8 p30 11.91 75.08 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.928 1 O-C-N 130.01 4.569 . . . . 10.0 114.78 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.71 120.03 28.42 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 110.053 -3.249 . . . . 10.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.38 125.06 50.73 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.934 2.646 . . . . 10.0 113.581 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -144.77 171.36 14.53 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 110.685 -2.961 . . . . 10.0 108.75 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.8 mtt -102.36 126.74 49.47 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 123.981 0.8 . . . . 10.0 110.147 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.448 ' HB ' ' CE1' ' A' ' 70' ' ' PHE . 71.7 m -119.85 141.87 49.16 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 112.776 -2.011 . . . . 10.0 113.819 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 86' ' ' VAL . 1.6 m -125.74 163.23 23.3 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.374 -1.284 . . . . 10.0 110.525 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.463 HG11 HG22 ' A' ' 66' ' ' VAL . 90.8 t -138.84 135.49 42.94 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-O 125.145 2.403 . . . . 10.0 114.307 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -124.93 154.52 41.02 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 109.93 -3.304 . . . . 10.0 111.045 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -121.21 107.92 13.15 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 126.853 2.596 . . . . 10.0 107.993 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.93 -13.99 16.7 Favored 'General case' 0 C--O 1.212 -0.918 0 O-C-N 126.928 2.643 . . . . 10.0 113.253 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.68 -133.11 3.94 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 124.525 1.141 . . . . 10.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -56.65 -43.91 80.78 Favored 'General case' 0 CA--C 1.494 -1.173 0 CA-C-O 126.104 2.859 . . . . 10.0 110.406 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -90.95 128.01 36.62 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 110.908 -2.86 . . . . 10.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.1 127.97 55.73 Favored 'General case' 0 CA--C 1.499 -1.006 0 O-C-N 127.956 3.285 . . . . 10.0 109.617 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -137.85 158.2 44.85 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.498 1.124 . . . . 10.0 108.545 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 171.77 9.89 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 112.476 -2.147 . . . . 10.0 112.676 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.99 123.26 10.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 127.517 3.011 . . . . 10.0 108.332 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.8 119.81 32.74 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 127.548 3.03 . . . . 10.0 113.488 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -67.77 -174.59 0.46 Allowed 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.06 -2.336 . . . . 10.0 111.495 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 156.44 -145.85 12.9 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 112.893 -1.958 . . . . 10.0 113.31 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.99 28.92 2.3 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 127.513 2.537 . . . . 10.0 114.747 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -131.47 -144.55 0.25 Allowed 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 111.542 -2.572 . . . . 10.0 108.84 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -133.63 142.65 48.18 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 124.615 2.15 . . . . 10.0 111.792 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.76 -85.11 0.69 Allowed Glycine 0 C--O 1.212 -1.251 0 CA-C-N 113.314 -1.767 . . . . 10.0 112.841 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 27.02 89.91 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 O-C-N 129.977 3.986 . . . . 10.0 113.619 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 149.45 8.01 Favored Glycine 0 N--CA 1.465 0.616 0 O-C-N 125.643 1.839 . . . . 10.0 109.033 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.8 149.33 50.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.064 1.345 . . . . 10.0 114.105 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -138.97 137.51 36.45 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 126.141 2.15 . . . . 10.0 109.252 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.494 ' HG3' HD12 ' A' ' 117' ' ' LEU . 28.0 mt-30 -120.93 148.17 44.43 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 126.445 3.022 . . . . 10.0 112.801 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -166.05 99.12 0.64 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 112.697 -2.047 . . . . 10.0 112.481 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.523 HD12 HG11 ' A' ' 2' ' ' VAL . 9.4 mt -63.81 135.67 27.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 127.043 2.715 . . . . 10.0 109.605 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.75 -59.12 1.8 Allowed 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 125.471 1.732 . . . . 10.0 113.411 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.45 -76.01 0.02 OUTLIER Glycine 0 N--CA 1.463 0.439 0 CA-C-N 111.895 -2.412 . . . . 10.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.44 19.74 14.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 124.86 2.267 . . . . 10.0 108.75 -179.781 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -133.62 144.98 49.59 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 113.623 -1.626 . . . . 10.0 109.784 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.824 HD13 ' HD1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -102.98 47.92 0.87 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 128.016 3.322 . . . . 10.0 112.189 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -23.55 124.41 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.885 3.866 . . . . 10.0 114.137 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' ' 108' ' ' GLN . 13.2 tp -141.67 143.35 33.55 Favored 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 125.699 1.875 . . . . 10.0 113.941 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -134.16 111.88 10.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 110.108 -3.224 . . . . 10.0 113.636 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.0 mtm -109.89 137.83 47.11 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 124.576 1.172 . . . . 10.0 109.69 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 128.44 32.14 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 112.638 -2.073 . . . . 10.0 112.239 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.36 136.7 8.72 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 125.236 1.585 . . . . 10.0 113.656 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.64 20.4 10.33 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.88 -1.963 . . . . 10.0 113.771 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.05 21.3 65.73 Favored Glycine 0 C--O 1.211 -1.314 0 CA-C-N 112.261 -2.245 . . . . 10.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 22' ' ' ALA . 5.2 t -113.34 111.66 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.849 -0.797 . . . . 10.0 108.849 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.1 m -87.33 118.59 26.87 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 128.062 3.351 . . . . 10.0 109.527 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.3 t -116.15 149.65 38.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 124.624 2.154 . . . . 10.0 110.034 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -143.39 139.74 30.13 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 111.426 -2.625 . . . . 10.0 112.777 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -133.54 128.02 34.39 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.821 -1.082 . . . . 10.0 111.656 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.71 100.25 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 O-C-N 127.334 2.896 . . . . 10.0 114.588 -179.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -84.52 175.6 9.18 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 127.092 2.745 . . . . 10.0 108.657 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.561 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.1 tptm -146.38 113.02 5.99 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 125.864 1.977 . . . . 10.0 114.192 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 113.73 15.73 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 112.447 -2.16 . . . . 10.0 111.424 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.81 -11.72 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 O-C-N 126.141 2.15 . . . . 10.0 113.455 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--O 1.249 1.078 0 O-C-N 127.083 2.739 . . . . 10.0 110.535 -179.984 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.556 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.514 2.689 0 N-CA-C 110.437 -0.64 . . . . 10.0 110.437 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 31.0 82.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.342 0.25 0 O-C-N 129.032 3.957 . . . . 10.0 112.042 -179.689 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.83 124.93 22.11 Favored 'General case' 0 C--N 1.343 0.295 0 O-C-N 127.518 3.011 . . . . 10.0 113.888 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 110' ' ' ILE . 16.9 m-30 -98.63 -9.34 24.9 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 126.621 2.45 . . . . 10.0 112.685 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -60.59 164.31 4.67 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 126.392 2.308 . . . . 10.0 112.711 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.95 -164.74 12.14 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 107.555 -2.218 . . . . 10.0 107.555 -179.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' HB3' ' CE ' ' A' ' 132' ' ' LYS . 2.4 m-85 -115.49 159.79 20.74 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 110.717 -2.741 . . . . 10.0 110.092 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.601 ' CD1' HD12 ' A' ' 42' ' ' ILE . 22.1 m95 -141.2 99.5 3.59 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 110.192 -3.186 . . . . 10.0 113.822 179.129 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HB3' ' HD3' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -98.49 144.25 28.03 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 116.905 -1.918 . . . . 10.0 108.006 178.82 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.476 ' HA ' ' CD2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.36 176.69 0.33 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 124.667 2.175 . . . . 10.0 113.863 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.29 -58.87 0.45 Allowed 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 110.056 -3.247 . . . . 10.0 110.461 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.33 163.47 3.76 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 112.014 -2.357 . . . . 10.0 111.7 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -112.03 -177.18 3.11 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 123.592 1.663 . . . . 10.0 113.961 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -175.83 106.16 0.08 Allowed 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 114.403 -1.271 . . . . 10.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t30 77.62 25.05 0.73 Allowed 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.916 -1.947 . . . . 10.0 110.105 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -68.18 -39.22 82.58 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 114.073 -1.421 . . . . 10.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -44.92 73.53 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 112.029 -2.35 . . . . 10.0 113.987 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -20.5 63.88 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 126.28 2.238 . . . . 10.0 114.352 -179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.95 -38.23 57.77 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.606 2.146 . . . . 10.0 111.365 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.11 -36.94 84.49 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 110.943 -2.844 . . . . 10.0 114.248 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -21.82 66.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.86 1.43 . . . . 10.0 114.86 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.14 -22.77 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 126.379 2.299 . . . . 10.0 113.067 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -103.83 3.35 33.8 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 126.7 2.5 . . . . 10.0 110.736 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 64.82 29.02 12.78 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 127.861 3.226 . . . . 10.0 112.699 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.97 147.59 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.348 2.905 . . . . 10.0 112.508 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.47 157.18 24.06 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 121.742 0.782 . . . . 10.0 112.422 -179.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.33 -38.57 82.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 124.918 1.287 . . . . 10.0 112.637 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.01 97.77 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 123.528 1.632 . . . . 10.0 114.852 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -24.73 62.26 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-N 111.119 -2.764 . . . . 10.0 111.977 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -79.96 -30.45 39.84 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 114.709 -1.132 . . . . 10.0 111.863 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HD12 ' A' ' 35' ' ' LEU . 15.3 ttmm -78.71 -34.3 46.09 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 127.657 3.098 . . . . 10.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 mt -74.54 -31.75 28.28 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.158 0 CA-C-N 114.711 -1.131 . . . . 10.0 109.477 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -28.11 60.67 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 124.083 1.897 . . . . 10.0 113.299 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.72 -34.7 78.42 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 110.305 -3.134 . . . . 10.0 113.664 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 31' ' ' LYS . 4.3 mt -94.82 0.08 54.56 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 113.255 -1.793 . . . . 10.0 112.176 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.475 HD11 ' HB3' ' A' ' 57' ' ' PHE . 8.6 mt -112.66 126.11 55.02 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 113.848 -1.524 . . . . 10.0 112.663 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -133.18 65.55 73.43 Favored Pre-proline 0 C--O 1.219 -0.539 0 CA-C-N 113.369 -1.741 . . . . 10.0 108.564 -179.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.08 164.2 17.62 Favored 'Trans proline' 0 CA--C 1.501 -1.139 0 C-N-CA 122.913 2.409 . . . . 10.0 114.007 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.17 126.37 53.57 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 126.434 2.334 . . . . 10.0 109.948 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.47 141.5 28.69 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 124.881 2.277 . . . . 10.0 111.306 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 12.1 tt0 -130.96 120.44 23.54 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.697 -2.501 . . . . 10.0 109.243 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' A' ' 8' ' ' TRP . 14.2 mt -113.86 139.98 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.087 0 CA-C-N 111.751 -2.477 . . . . 10.0 111.83 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 50' ' ' ILE . 6.5 t -127.68 115.61 40.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 113.501 -1.681 . . . . 10.0 109.409 -179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -99.81 120.72 40.2 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -115.67 10.27 15.45 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 126.351 2.977 . . . . 10.0 111.477 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.62 -109.56 2.4 Favored Glycine 0 C--O 1.214 -1.146 0 CA-C-N 112.2 -2.273 . . . . 10.0 110.233 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -59.02 -42.06 89.26 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.868 -1.166 . . . . 10.0 109.392 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -86.7 158.61 19.39 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 126.52 2.388 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.5 ttm -166.69 130.7 2.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 127.444 2.965 . . . . 10.0 110.569 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG22 ' HB ' ' A' ' 43' ' ' VAL . 9.1 tt -113.59 151.18 15.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 113.107 -1.86 . . . . 10.0 109.676 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.4 119.33 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.804 0 CA-C-N 110.088 -3.233 . . . . 10.0 110.176 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.564 ' HD3' HG23 ' A' ' 61' ' ' ILE . 1.6 mpp_? -99.87 176.18 5.53 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 124.42 1.075 . . . . 10.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.453 HG21 H162 ' A' ' 135' ' ' RTL . 22.9 m -163.67 83.28 0.46 Allowed 'General case' 0 C--O 1.209 -1.071 0 O-C-N 128.327 3.517 . . . . 10.0 108.395 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 54' ' ' LEU . 89.2 mt -79.13 89.27 4.83 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 109.191 -3.641 . . . . 10.0 114.158 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 p -121.35 126.09 48.6 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 111.974 -2.375 . . . . 10.0 108.831 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.99 79.75 0.65 Allowed 'General case' 0 C--O 1.22 -0.493 0 O-C-N 125.233 1.583 . . . . 10.0 109.647 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.534 ' CE2' ' CB ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 173.27 -39.46 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 127.862 3.227 . . . . 10.0 111.201 -179.774 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' CB ' ' CE2' ' A' ' 57' ' ' PHE . 29.8 ttm-85 -164.72 90.62 0.54 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 126.365 2.291 . . . . 10.0 114.098 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -64.53 124.88 22.98 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 111.332 -2.667 . . . . 10.0 107.155 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -91.94 -74.29 0.52 Allowed 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 124.664 2.173 . . . . 10.0 115.268 -178.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG23 ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER 55.82 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.405 1 CA-C-N 108.38 -4.009 . . . . 10.0 112.987 -175.043 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.472 ' H ' HG22 ' A' ' 61' ' ' ILE . 2.0 ptm 176.37 136.57 0.06 Allowed 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.793 -2.458 . . . . 10.0 111.861 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.47 117.53 30.03 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 112.521 -2.127 . . . . 10.0 114.754 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.65 176.97 5.45 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 123.633 1.682 . . . . 10.0 109.858 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.28 133.22 11.45 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 112.023 -2.353 . . . . 10.0 109.324 179.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 t -85.91 128.37 39.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-O 124.822 2.249 . . . . 10.0 109.642 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.22 -28.5 4.19 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 110.439 -3.073 . . . . 10.0 114.441 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -80.68 161.39 24.65 Favored 'General case' 0 C--O 1.208 -1.121 0 N-CA-C 113.94 1.089 . . . . 10.0 113.94 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -120.94 116.78 25.77 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 127.629 3.08 . . . . 10.0 110.109 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 17.7 p90 -136.44 150.56 48.79 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 126.446 2.341 . . . . 10.0 114.35 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -65.69 148.95 50.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 112.138 -2.301 . . . . 10.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -129.15 158.57 38.61 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 126.839 2.587 . . . . 10.0 112.654 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.78 21.75 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.443 -2.162 . . . . 10.0 110.75 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -109.45 55.87 0.63 Allowed 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 126.588 2.43 . . . . 10.0 112.442 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 75' ' ' THR . 9.3 t -99.0 127.24 44.88 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 124.127 1.918 . . . . 10.0 112.52 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.25 -13.94 8.34 Favored Glycine 0 C--O 1.21 -1.383 0 CA-C-N 111.419 -2.628 . . . . 10.0 108.966 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 mt -113.46 -61.13 2.63 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 110.785 -2.707 . . . . 10.0 110.688 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -166.2 29.01 0.04 OUTLIER 'General case' 0 C--N 1.345 0.37 0 C-N-CA 117.939 -1.504 . . . . 10.0 113.463 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 22.91 86.52 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.433 0 O-C-N 127.66 3.1 . . . . 10.0 114.338 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HG2' ' CB ' ' A' ' 74' ' ' LEU . 17.5 ptt85 -140.68 52.93 1.61 Allowed 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 114.529 -1.214 . . . . 10.0 112.071 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -48.56 120.64 3.86 Favored 'General case' 0 CA--C 1.518 -0.273 0 O-C-N 128.097 3.373 . . . . 10.0 111.582 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.56 -178.14 5.04 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 113.16 -1.837 . . . . 10.0 108.682 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtt -102.89 141.04 36.37 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 112.183 -2.28 . . . . 10.0 107.863 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.859 HG23 ' HG2' ' A' ' 97' ' ' GLN . 17.6 m -130.63 147.62 52.33 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 125.964 2.04 . . . . 10.0 111.683 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 m -145.34 140.93 28.07 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.947 -1.933 . . . . 10.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.48 130.84 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.125 0 CA-C-O 126.962 3.268 . . . . 10.0 112.057 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.93 -175.65 4.04 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 111.209 -2.723 . . . . 10.0 109.433 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.75 136.39 44.55 Favored 'General case' 0 CA--C 1.505 -0.779 0 O-C-N 126.879 2.612 . . . . 10.0 112.27 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.15 -19.95 33.26 Favored 'General case' 0 CA--C 1.5 -0.981 0 CA-C-N 112.311 -2.222 . . . . 10.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.35 -70.43 0.46 Allowed Glycine 0 N--CA 1.47 0.962 0 CA-C-N 112.372 -2.195 . . . . 10.0 111.113 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -95.36 -54.34 3.44 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 112.51 -1.845 . . . . 10.0 108.567 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -89.29 153.45 20.88 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 126.646 2.466 . . . . 10.0 111.048 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.48 127.19 52.87 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 110.681 -2.963 . . . . 10.0 110.055 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 129.1 51.89 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 125.81 1.944 . . . . 10.0 111.691 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 t -111.58 102.57 10.89 Favored 'General case' 0 C--O 1.214 -0.807 0 O-C-N 128.371 3.544 . . . . 10.0 113.103 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 p -100.2 153.99 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 O-C-N 125.537 1.773 . . . . 10.0 112.919 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.859 ' HG2' HG23 ' A' ' 84' ' ' THR . 12.2 mt-30 -119.03 164.74 15.04 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 114.127 -1.397 . . . . 10.0 109.056 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.57 44.05 1.13 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.58 146.3 18.83 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 118.487 -1.816 . . . . 10.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.16 -32.77 49.47 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 124.478 2.085 . . . . 10.0 110.121 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -63.37 160.51 15.91 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 110.525 -3.034 . . . . 10.0 111.713 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.54 146.41 40.51 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 113.347 -1.751 . . . . 10.0 113.653 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.47 -94.5 0.09 OUTLIER Glycine 0 C--N 1.348 1.196 0 CA-C-N 111.809 -2.451 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.59 25.12 4.62 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.56 -1.82 . . . . 10.0 111.086 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.35 141.11 13.09 Favored Glycine 0 N--CA 1.465 0.57 0 CA-C-O 124.923 2.402 . . . . 10.0 112.161 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -100.04 178.76 4.7 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 111.45 -2.375 . . . . 10.0 112.839 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.6 m -163.91 118.9 1.55 Allowed 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.393 -1.73 . . . . 10.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 162.45 18.58 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 125.703 2.668 . . . . 10.0 109.391 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -148.08 -53.01 0.19 Allowed 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.538 -3.028 . . . . 10.0 114.337 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.442 ' CD1' ' CD1' ' A' ' 4' ' ' PHE . 3.3 mt 73.91 145.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 125.987 2.055 . . . . 10.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -155.26 80.07 1.05 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 123.762 1.744 . . . . 10.0 109.186 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.91 -112.09 3.82 Favored Glycine 0 N--CA 1.474 1.189 0 N-CA-C 107.379 -2.288 . . . . 10.0 107.379 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -117.4 14.0 14.59 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 123.185 1.469 . . . . 10.0 113.275 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -110.92 108.44 18.22 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 110.779 -2.919 . . . . 10.0 110.144 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.457 HD12 ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -79.2 110.55 14.56 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 124.162 1.934 . . . . 10.0 111.788 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -98.35 91.37 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 110.816 -2.902 . . . . 10.0 109.846 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 118' ' ' GLU . 4.8 tp -112.56 131.39 55.63 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 127.191 2.807 . . . . 10.0 112.573 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.624 ' N ' HD12 ' A' ' 117' ' ' LEU . 97.8 mt-10 -119.79 110.42 16.76 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 112.881 -1.963 . . . . 10.0 107.879 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.549 ' HG2' HD11 ' A' ' 117' ' ' LEU . 21.3 mtp -103.33 163.57 12.18 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 113.607 -1.633 . . . . 10.0 114.267 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -150.23 152.62 34.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 111.024 -2.807 . . . . 10.0 108.968 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 179.27 114.72 0.04 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 113.254 -1.794 . . . . 10.0 112.307 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.8 3.75 4.25 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 128.127 3.392 . . . . 10.0 113.088 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 104.94 17.7 13.8 Favored Glycine 0 N--CA 1.467 0.765 0 O-C-N 126.723 2.515 . . . . 10.0 111.307 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.69 119.82 58.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 CA-C-O 124.967 2.318 . . . . 10.0 109.961 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.7 m -91.55 126.6 36.69 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 125.121 2.391 . . . . 10.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -138.35 144.52 40.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 112.846 -1.979 . . . . 10.0 110.821 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -131.19 148.7 52.74 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 124.084 1.897 . . . . 10.0 110.692 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -124.22 136.95 54.54 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 112.6 -2.091 . . . . 10.0 108.888 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.1 t -117.35 127.44 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.023 0 CA-C-O 125.14 2.4 . . . . 10.0 113.538 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 10' ' ' MET . 66.8 m-85 -118.19 152.91 34.77 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.735 -2.029 . . . . 10.0 109.167 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -155.12 86.46 1.1 Allowed 'General case' 0 C--O 1.207 -1.161 0 O-C-N 125.46 1.725 . . . . 10.0 107.129 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.606 ' HD2' ' N ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -68.62 -147.37 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 O-C-N 129.805 4.441 . . . . 10.0 115.412 -178.772 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.606 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 1.0 OUTLIER -150.09 -49.08 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.128 0 CA-C-N 115.239 -0.891 . . . . 10.0 113.01 -175.067 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.559 ' N ' HG12 ' A' ' 133' ' ' VAL . 12.7 m-70 . . . . . 0 C--O 1.257 1.477 0 CA-C-O 118.001 -1.0 . . . . 10.0 111.968 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.724 ' H8 ' H171 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 N--CA 1.513 2.628 0 CA-C-O 123.861 1.525 . . . . 10.0 110.356 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.7 t -148.52 -50.72 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 CA-C-N 112.12 -2.309 . . . . 10.0 112.921 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -29.97 118.17 0.15 Allowed 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 126.192 2.183 . . . . 10.0 113.965 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -89.89 -18.14 26.71 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 127.56 3.038 . . . . 10.0 110.174 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.91 151.78 11.08 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 125.629 1.83 . . . . 10.0 111.212 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.11 -165.86 16.88 Favored Glycine 0 C--O 1.214 -1.126 0 CA-C-N 113.392 -1.731 . . . . 10.0 109.785 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -116.35 134.1 55.26 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-N 113.752 -1.224 . . . . 10.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 115' ' ' LEU . 3.3 m95 -132.29 113.2 12.94 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 125.298 1.624 . . . . 10.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.593 ' HG2' HG22 ' A' ' 133' ' ' VAL . 14.7 pttt -100.77 149.95 23.3 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 149.1 48.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.094 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -115.56 -56.53 2.33 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 124.978 2.323 . . . . 10.0 114.491 -179.473 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 p -141.88 178.63 7.37 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 110.965 -2.834 . . . . 10.0 109.195 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -132.28 158.64 41.32 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 111.32 -2.673 . . . . 10.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.39 109.58 1.13 Allowed 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 126.029 2.081 . . . . 10.0 113.358 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 23.95 3.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 126.997 2.685 . . . . 10.0 110.181 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.657 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 39.4 t80 -74.76 -40.57 61.15 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 112.876 -1.965 . . . . 10.0 111.962 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.22 -38.39 87.81 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.839 3.212 . . . . 10.0 113.571 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -28.43 62.39 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.138 1.162 . . . . 10.0 114.138 179.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.49 -29.57 64.97 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 126.653 2.47 . . . . 10.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.657 HD11 ' CZ ' ' A' ' 16' ' ' PHE . 93.0 mt -77.38 -33.69 55.14 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.726 1.891 . . . . 10.0 112.854 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -31.1 72.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.729 1.252 . . . . 10.0 113.721 -179.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.0 89.91 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 109.994 -3.276 . . . . 10.0 113.376 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.2 1.08 54.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 113.332 -1.758 . . . . 10.0 110.475 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 56.21 65.48 1.42 Allowed 'General case' 0 CA--C 1.497 -1.086 0 CA-C-N 114.34 -1.3 . . . . 10.0 113.138 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.44 138.41 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 111.383 -2.644 . . . . 10.0 108.482 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -52.65 152.11 3.92 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 125.212 1.57 . . . . 10.0 113.936 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.66 -26.15 34.61 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-O 124.393 2.044 . . . . 10.0 113.559 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.34 60.47 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 110.219 -3.173 . . . . 10.0 110.178 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 tt -75.88 -26.02 56.66 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 110.683 -2.962 . . . . 10.0 109.547 -179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -79.09 -25.35 43.07 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-N 114.568 -1.196 . . . . 10.0 111.487 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -75.49 -39.77 58.13 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.663 -2.062 . . . . 10.0 109.317 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.4 mt -73.91 -29.19 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-N 111.516 -2.584 . . . . 10.0 112.196 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 16' ' ' PHE . . . -72.24 -22.69 61.2 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 125.263 1.602 . . . . 10.0 112.158 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -22.98 66.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.309 1.596 . . . . 10.0 115.309 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.48 35.19 4.91 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 112.433 -2.167 . . . . 10.0 111.622 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.691 HD21 ' HB2' ' A' ' 57' ' ' PHE . 1.1 tp -124.2 117.24 24.15 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 110.669 -2.969 . . . . 10.0 109.723 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -141.21 67.11 25.86 Favored Pre-proline 0 CA--C 1.5 -0.968 0 O-C-N 127.583 3.052 . . . . 10.0 112.622 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -52.82 164.77 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.31 2.673 . . . . 10.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.03 112.17 15.57 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 110.418 -3.083 . . . . 10.0 111.49 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.53 146.29 29.29 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-N 110.931 -2.85 . . . . 10.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -133.01 104.93 6.78 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 111.478 -2.601 . . . . 10.0 108.726 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.2 mm -91.24 142.8 12.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 127.441 2.963 . . . . 10.0 110.766 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' A' ' 50' ' ' ILE . 8.8 p -136.65 49.42 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 O-C-N 126.357 2.285 . . . . 10.0 111.185 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 103.77 0.07 Allowed 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.858 -2.883 . . . . 10.0 114.148 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -115.61 74.31 0.88 Allowed 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 126.166 2.166 . . . . 10.0 113.573 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.37 -121.89 6.39 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 126.779 2.549 . . . . 10.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -26.04 56.83 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-O 125.799 2.714 . . . . 10.0 114.142 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.65 146.48 25.28 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 112.479 -2.146 . . . . 10.0 112.17 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.2 ptm -152.68 144.0 23.25 Favored 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 128.069 3.356 . . . . 10.0 108.409 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.717 ' HB ' HG12 ' A' ' 43' ' ' VAL . 73.6 mt -118.38 112.55 38.67 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 CA-C-O 125.247 2.451 . . . . 10.0 114.537 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mt -94.86 90.67 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 CA-C-N 110.424 -3.08 . . . . 10.0 110.479 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.13 167.09 14.79 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 112.502 -2.136 . . . . 10.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.3 m -159.87 86.2 0.77 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.133 1.521 . . . . 10.0 109.05 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.7 mt -90.06 112.52 24.0 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.025 2.078 . . . . 10.0 113.487 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 p -155.7 142.12 18.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 111.517 -2.583 . . . . 10.0 109.824 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -63.28 -17.21 62.26 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 111.175 -2.739 . . . . 10.0 113.877 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.691 ' HB2' HD21 ' A' ' 36' ' ' LEU . 19.6 t80 -81.08 -55.64 4.63 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 112.583 -2.099 . . . . 10.0 113.145 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -164.75 123.09 1.73 Allowed 'General case' 0 C--N 1.352 0.707 0 CA-C-N 112.595 -2.093 . . . . 10.0 114.792 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.23 171.65 13.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 116.798 -1.961 . . . . 10.0 107.204 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -133.33 -72.47 0.5 Allowed 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 125.311 2.481 . . . . 10.0 114.426 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp 63.6 143.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.489 1 CA-C-N 108.307 -4.042 . . . . 10.0 110.854 -176.027 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 mtt -129.11 -52.6 1.2 Allowed 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 113.106 -1.861 . . . . 10.0 115.294 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 65.13 61.56 0.74 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 114.711 -1.131 . . . . 10.0 108.603 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -69.37 166.62 18.24 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 112.366 -2.197 . . . . 10.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -156.48 101.7 2.03 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 125.214 1.571 . . . . 10.0 107.951 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -54.28 123.0 4.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 CA-C-N 113.779 -1.555 . . . . 10.0 112.215 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.42 19.56 41.2 Favored Glycine 0 C--O 1.207 -1.547 0 O-C-N 126.029 2.081 . . . . 10.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.39 139.98 50.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 123.223 1.487 . . . . 10.0 113.261 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -106.6 136.99 45.43 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 124.749 2.214 . . . . 10.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -163.19 153.92 16.5 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 124.859 2.266 . . . . 10.0 110.304 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -54.02 160.19 1.58 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 111.318 -2.674 . . . . 10.0 111.826 -179.763 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 8.4 tp10 -148.68 104.82 3.51 Favored 'General case' 0 CA--C 1.511 -0.556 0 O-C-N 126.279 2.237 . . . . 10.0 112.161 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -103.16 117.43 34.52 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 111.143 -2.753 . . . . 10.0 110.423 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 74' ' ' LEU . 5.9 mp -103.21 46.37 0.92 Allowed 'General case' 0 C--O 1.21 -1.015 0 O-C-N 126.833 2.583 . . . . 10.0 112.624 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -92.05 118.7 31.05 Favored 'General case' 0 CA--C 1.495 -1.148 0 O-C-N 126.303 2.252 . . . . 10.0 109.487 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.73 -16.22 7.88 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 113.47 -1.696 . . . . 10.0 109.829 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 77' ' ' ILE . 4.8 mt -105.01 -63.49 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 110.916 -2.642 . . . . 10.0 110.012 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 6.25 2.69 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.539 -2.119 . . . . 10.0 114.534 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.72 82.26 0.11 Allowed 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 122.95 1.357 . . . . 10.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.02 -174.52 4.97 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 110.177 -3.192 . . . . 10.0 113.696 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.74 123.66 0.54 Allowed 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 124.332 2.015 . . . . 10.0 112.669 -179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.7 m -144.48 -175.21 4.55 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 113.82 -1.536 . . . . 10.0 110.024 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.6 mtp -118.68 144.9 45.9 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 127.353 2.908 . . . . 10.0 108.181 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.499 HG22 ' H ' ' A' ' 85' ' ' THR . 0.6 OUTLIER -130.8 166.32 21.07 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 125.141 2.401 . . . . 10.0 113.696 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.499 ' H ' HG22 ' A' ' 84' ' ' THR . 1.3 m -158.26 149.78 21.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 110.754 -2.93 . . . . 10.0 111.636 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.77 143.04 35.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 CA-C-N 111.223 -2.717 . . . . 10.0 108.649 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 m -148.08 84.31 1.52 Allowed 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 114.022 -1.445 . . . . 10.0 113.719 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -56.27 133.32 52.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 126.933 2.646 . . . . 10.0 108.623 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.3 89.17 2.21 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 124.334 1.054 . . . . 10.0 112.594 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.91 -121.04 5.76 Favored Glycine 0 C--O 1.209 -1.449 0 O-C-N 126.598 2.436 . . . . 10.0 114.118 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -100.24 17.37 21.5 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 112.531 -1.834 . . . . 10.0 114.474 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -133.58 -179.21 5.38 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-O 125.945 2.783 . . . . 10.0 110.189 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' C ' HD23 ' A' ' 93' ' ' LEU . 9.6 tt -157.04 114.63 3.14 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 124.933 2.301 . . . . 10.0 112.61 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.17 141.31 43.26 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 112.943 -1.935 . . . . 10.0 111.891 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.2 m -115.5 89.63 3.15 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 123.916 1.817 . . . . 10.0 110.052 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -89.6 137.15 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 113.995 -1.457 . . . . 10.0 109.064 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.95 146.13 44.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.146 -1.388 . . . . 10.0 109.753 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.32 74.83 0.9 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.582 1.176 . . . . 10.0 109.099 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.79 -161.96 19.08 Favored Glycine 0 C--O 1.214 -1.153 0 CA-C-O 125.534 2.741 . . . . 10.0 109.502 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -105.7 119.95 40.44 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 112.091 -2.054 . . . . 10.0 107.53 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.739 ' CG ' ' N ' ' A' ' 102' ' ' GLU . 1.9 ttmt 62.11 169.67 0.12 Allowed 'General case' 0 C--O 1.206 -1.187 0 O-C-N 128.58 3.675 . . . . 10.0 108.012 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.739 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 2.1 mt-10 80.64 108.31 0.07 Allowed 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.366 4.792 . . . . 10.0 108.005 176.514 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -28.77 -43.95 0.04 OUTLIER Glycine 0 N--CA 1.473 1.117 1 O-C-N 131.465 5.478 . . . . 10.0 106.944 178.236 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER 52.0 170.52 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.966 0 O-C-N 127.472 2.513 . . . . 10.0 115.991 177.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.83 111.4 3.18 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 110.317 -3.129 . . . . 10.0 114.358 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -106.47 119.7 39.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 111.301 -2.45 . . . . 10.0 107.459 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 p -112.07 160.69 17.27 Favored 'General case' 0 CA--C 1.494 -1.202 0 O-C-N 126.662 2.476 . . . . 10.0 114.041 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -144.28 129.68 18.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 111.548 -2.569 . . . . 10.0 112.385 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 109' ' ' TRP . 9.0 t90 -152.82 87.87 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 110.392 -3.095 . . . . 10.0 113.258 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.62 144.41 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 O-C-N 127.719 3.137 . . . . 10.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -152.86 78.33 1.18 Allowed 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 123.75 1.738 . . . . 10.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.88 -128.75 9.61 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 110.317 -3.129 . . . . 10.0 109.225 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 6.57 39.67 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 112.63 -1.785 . . . . 10.0 112.996 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -117.05 146.74 42.9 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 113.633 -1.621 . . . . 10.0 108.209 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.496 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 1.3 tt -103.03 92.21 4.45 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.123 -1.853 . . . . 10.0 112.784 179.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.54 149.28 25.88 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 111.695 -2.502 . . . . 10.0 109.655 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 107' ' ' THR . 7.8 tp -157.62 128.53 6.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 113.195 -1.821 . . . . 10.0 113.89 -179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -117.96 84.46 2.17 Favored 'General case' 0 CA--C 1.497 -1.082 0 O-C-N 126.618 2.449 . . . . 10.0 114.406 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.0 mtp -76.43 119.27 20.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 112.867 -1.969 . . . . 10.0 111.311 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -115.65 138.91 50.61 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 125.699 1.875 . . . . 10.0 110.122 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -160.38 140.61 11.49 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 112.543 -2.117 . . . . 10.0 108.456 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 47.15 28.56 0.98 Allowed 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 123.51 1.624 . . . . 10.0 113.92 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.98 -2.91 78.97 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 112.41 -2.177 . . . . 10.0 114.791 179.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.5 126.39 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.656 HG22 ' HE2' ' A' ' 127' ' ' LYS . 18.5 m -84.58 131.01 34.66 Favored 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 126.445 2.341 . . . . 10.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 135.35 34.95 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.612 1.195 . . . . 10.0 108.87 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -121.4 123.8 42.99 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 114.893 -1.049 . . . . 10.0 112.814 179.802 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.97 86.3 2.48 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 123.78 1.752 . . . . 10.0 107.76 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.72 124.65 14.42 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 108.968 -3.742 . . . . 10.0 111.227 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -109.16 160.15 16.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 114.061 -1.427 . . . . 10.0 110.075 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.781 ' HB2' HD12 ' A' ' 11' ' ' LEU . 25.6 tptp -145.58 107.45 4.3 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 124.303 2.002 . . . . 10.0 111.046 -179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 8' ' ' TRP . 4.0 tttm -52.25 130.78 31.62 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.372 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' A' ' 9' ' ' LYS . 1.6 t -89.04 -59.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-N 112.815 -1.993 . . . . 10.0 113.212 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.827 0 CA-C-N 114.008 -1.451 . . . . 10.0 113.058 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.527 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_